N-[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]sulfonylbenzamide

Systemtic Name: N-[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]sulfonylbenzamide Openeye Name: N-[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]sulfonylbenzamide CAS Name: N-[4-[[2-(phenylthio)ethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]sulfonylbenzamide IUPAC Name: N-[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]sulfonylbenzamide Traditional Name: N-[4-[[2-(phenylthio)ethyl-(4-sulfamoylbenzyl)amino]methyl]phenyl]sulfonylbenzamide Formula: C29H29N3O5S3 MolecularWeight: 595.75266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=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

Isomeric SMILES

C1=CC=C(C=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

InChI

InChI=1S/C29H29N3O5S3/c30-39(34,35)27-15-11-23(12-16-27)21-32(19-20-38-26-9-5-2-6-10-26)22-24-13-17-28(18-14-24)40(36,37)31-29(33)25-7-3-1-4-8-25/h1-18H,19-22H2,(H,31,33)(H2,30,34,35)