2-(phenylmethylsulfanyl)-5-sulfamoyl-benzoic acid

Systemtic Name: 2-(phenylmethylsulfanyl)-5-sulfamoyl-benzoic acid Openeye Name: 2-benzylsulfanyl-5-sulfamoyl-benzoic acid CAS Name: 2-(phenylmethylthio)-5-sulfamoylbenzoic acid IUPAC Name: 2-benzylsulfanyl-5-sulfamoylbenzoic acid Traditional Name: 2-(benzylthio)-5-sulfamoyl-benzoic acid Formula: C14H13NO4S2 MolecularWeight: 323.38732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO4S2/c15-21(18,19)11-6-7-13(12(8-11)14(16)17)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)(H2,15,18,19)