336708 <common-name>N-[4-[3-(1,3,4,6,11,11a-hexahydropyrazino[1,2-b]isoquinolin-2-yl)propylsulfonyl]phenyl]acetamide</common-name> <description>N-[4-[3-(1,3,4,6,11,11a-hexahydropyrazino[1,2-b]isoquinolin-2-yl)propylsulfonyl]phenyl]acetamide is a chemical compound with the formula C23H29N3O3S. It has an average molecular weight of 427.60 g/mol.</description> <cas>115041-56-0</cas> <pubchem-id>3087546</pubchem-id> <chemical-formula>C23H29N3O3S</chemical-formula> <weight>427.6</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-30T19:15:16Z</created-at> <updated-at type="dateTime">2026-08-30T19:15:16Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC(=O)NC1=CC=C(C=C1)S(=O)(=O)CCCN2CCN3CC4=CC=CC=C4CC3C2</moldb-smiles> <moldb-formula>C23H29N3O3S</moldb-formula> <moldb-inchi>InChI=1S/C23H29N3O3S/c1-18(27)24-21-7-9-23(10-8-21)30(28,29)14-4-11-25-12-13-26-16-20-6-3-2-5-19(20)15-22(26)17-25/h2-3,5-10,22H,4,11-17H2,1H3,(H,24,27)</moldb-inchi> <moldb-inchikey>MFZMYMAFJAIOGV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">427.192963</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM332601</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>N-[4-[3-(1,3,4,6,11,11a-hexahydropyrazino[1,2-b]isoquinolin-2-yl)propylsulfonyl]phenyl]acetamide</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Tetrahydroisoquinolines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0287166</sync-id> <structure-inchikey>MFZMYMAFJAIOGV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20800000000000000000000000000100000000030004000000000000000001000000020000000000000000000000000000000040000000000020000000000000000000000008000024000000000000001000001000000001000000010000000010400004000000000000020100000000002400000000500000000040000400800000000000004080000200000100000000080000000000000000000000000000000000080000000000000000000000088000000000010000000000000000000000000000000000040000000008000000802200000000010000018000000012000040000000030400000020000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAeAAAAIQAAAIABBgBgAAAAAQMGACgAAAAD BAgAKAAAAAMCBwBoAAAAAwIBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEG QCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDARAAIAAAAAYIACgAAAADAggAKAAA AAMCBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBwAgAAAAAwYAYAAAAAICBgBg AAAAAgIHACAAAAADBgBgAAAAAgIGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMD AQZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBgBgAAAAAgIGAGAAAAADAQYA YAAAAAICCwABAAECKAIBAyADBCAEBWgMBQZoDAYHaAwHCGgMCAloDAcKAAoL CAIKDAgCCg0ADQ4ADg8ADxAAEBEAERIAEhMAExQAFBUAFRZoDBYXaAwXGGgM GBloDBkaaAwaGwAbHAAcHQAJBGgMHRAAHBMAGhVoDEIEAAAABgQJCAcGBQYR EhMcHRAGFBUaGxwTBhYXGBkaFRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:38:02Z</structure-indexed-at> </compound>