4-phenyl-3-(phenylmethylsulfanyl)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-phenyl-3-(phenylmethylsulfanyl)-5-sulfamoyl-benzoic acid Openeye Name: 3-benzylsulfanyl-4-phenyl-5-sulfamoyl-benzoic acid CAS Name: 4-phenyl-3-(phenylmethylthio)-5-sulfamoylbenzoic acid IUPAC Name: 3-benzylsulfanyl-4-phenyl-5-sulfamoylbenzoic acid Traditional Name: 3-(benzylthio)-4-phenyl-5-sulfamoyl-benzoic acid Formula: C20H17NO4S2 MolecularWeight: 399.48328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C20H17NO4S2/c21-27(24,25)18-12-16(20(22)23)11-17(19(18)15-9-5-2-6-10-15)26-13-14-7-3-1-4-8-14/h1-12H,13H2,(H,22,23)(H2,21,24,25)