3-[bis(phenylmethyl)sulfamoyl]-5-sulfanyl-benzoic acid

Systemtic Name: 3-[bis(phenylmethyl)sulfamoyl]-5-sulfanyl-benzoic acid Openeye Name: 3-(dibenzylsulfamoyl)-5-sulfanyl-benzoic acid CAS Name: 3-[bis(phenylmethyl)sulfamoyl]-5-mercaptobenzoic acid IUPAC Name: 3-(dibenzylsulfamoyl)-5-sulfanylbenzoic acid Traditional Name: 3-(dibenzylsulfamoyl)-5-mercapto-benzoic acid Formula: C21H19NO4S2 MolecularWeight: 413.50986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO4S2/c23-21(24)18-11-19(27)13-20(12-18)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)