2-[[2-[(4-sulfamoylphenyl)carbamoyl]phenyl]disulfanyl]benzoic acid

Systemtic Name: 2-[[2-[(4-sulfamoylphenyl)carbamoyl]phenyl]disulfanyl]benzoic acid Openeye Name: 2-[[2-[(4-sulfamoylphenyl)carbamoyl]phenyl]disulfanyl]benzoic acid CAS Name: 2-[[2-[oxo-(4-sulfamoylanilino)methyl]phenyl]disulfanyl]benzoic acid IUPAC Name: 2-[[2-[(4-sulfamoylphenyl)carbamoyl]phenyl]disulfanyl]benzoic acid Traditional Name: 2-[[2-[(4-sulfamoylphenyl)carbamoyl]phenyl]disulfanyl]benzoic acid Formula: C20H16N2O5S3 MolecularWeight: 460.54644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)SSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)SSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H16N2O5S3/c21-30(26,27)14-11-9-13(10-12-14)22-19(23)15-5-1-3-7-17(15)28-29-18-8-4-2-6-16(18)20(24)25/h1-12H,(H,22,23)(H,24,25)(H2,21,26,27)