3,5-dimethoxy-N-[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]sulfonyl-benzamide

Systemtic Name: 3,5-dimethoxy-N-[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]sulfonyl-benzamide Openeye Name: 3,5-dimethoxy-N-[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]sulfonyl-benzamide CAS Name: 3,5-dimethoxy-N-[4-[[2-(phenylthio)ethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]sulfonylbenzamide IUPAC Name: 3,5-dimethoxy-N-[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]sulfonylbenzamide Traditional Name: 3,5-dimethoxy-N-[4-[[2-(phenylthio)ethyl-(4-sulfamoylbenzyl)amino]methyl]phenyl]sulfonyl-benzamide Formula: C31H33N3O7S3 MolecularWeight: 655.80462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)CN(CCSC3=CC=CC=C3)CC4=CC=C(C=C4)S(=O)(=O)N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)CN(CCSC3=CC=CC=C3)CC4=CC=C(C=C4)S(=O)(=O)N)OC

InChI

InChI=1S/C31H33N3O7S3/c1-40-26-18-25(19-27(20-26)41-2)31(35)33-44(38,39)30-14-10-24(11-15-30)22-34(16-17-42-28-6-4-3-5-7-28)21-23-8-12-29(13-9-23)43(32,36)37/h3-15,18-20H,16-17,21-22H2,1-2H3,(H,33,35)(H2,32,36,37)