4-(phenylsulfanylmethyl)-N-[(4-sulfamoylphenyl)methyl]benzamide

Systemtic Name: 4-(phenylsulfanylmethyl)-N-[(4-sulfamoylphenyl)methyl]benzamide Openeye Name: 4-(phenylsulfanylmethyl)-N-[(4-sulfamoylphenyl)methyl]benzamide CAS Name: 4-[(phenylthio)methyl]-N-[(4-sulfamoylphenyl)methyl]benzamide IUPAC Name: 4-(phenylsulfanylmethyl)-N-[(4-sulfamoylphenyl)methyl]benzamide Traditional Name: 4-[(phenylthio)methyl]-N-(4-sulfamoylbenzyl)benzamide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H20N2O3S2/c22-28(25,26)20-12-8-16(9-13-20)14-23-21(24)18-10-6-17(7-11-18)15-27-19-4-2-1-3-5-19/h1-13H,14-15H2,(H,23,24)(H2,22,25,26)