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A1IUY

Summary
Name:~{N}-[2-methyl-3-(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-1-yl)phenyl]methanesulfonamide
Formula:C18 H22 N2 O3 S
Formal charge:0
Formula weight:346.444 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[2-methyl-3-(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-1-yl)phenyl]methanesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C18H22N2O3S/c1-11-13(8-6-9-15(11)20-24(3,22)23)18-14-7-4-5-10-16(21)17(14)12(2)19-18/h6,8-9,19-20H,4-5,7,10H2,1-3H3
InChIKeyInChI1.06VUJHBAXRQCRYLD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1[nH]c(c2CCCCC(=O)c12)c3cccc(N[S](C)(=O)=O)c3C
SMILESCACTVS3.385Cc1[nH]c(c2CCCCC(=O)c12)c3cccc(N[S](C)(=O)=O)c3C
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(cccc1NS(=O)(=O)C)c2c3c(c([nH]2)C)C(=O)CCCC3
SMILESOpenEye OEToolkits2.0.7Cc1c(cccc1NS(=O)(=O)C)c2c3c(c([nH]2)C)C(=O)CCCC3

250059

PDB entries from 2026-03-04

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