4-[bis(phenylmethyl)sulfamoyl]-2-sulfanyl-benzoic acid

Systemtic Name: 4-[bis(phenylmethyl)sulfamoyl]-2-sulfanyl-benzoic acid Openeye Name: 4-(dibenzylsulfamoyl)-2-sulfanyl-benzoic acid CAS Name: 4-[bis(phenylmethyl)sulfamoyl]-2-mercaptobenzoic acid IUPAC Name: 4-(dibenzylsulfamoyl)-2-sulfanylbenzoic acid Traditional Name: 4-(dibenzylsulfamoyl)-2-mercapto-benzoic acid Formula: C21H19NO4S2 MolecularWeight: 413.50986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)C(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)C(=O)O)S

InChI

InChI=1S/C21H19NO4S2/c23-21(24)19-12-11-18(13-20(19)27)28(25,26)22(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13,27H,14-15H2,(H,23,24)