4-[[2-(carboxymethylsulfanyl)phenyl]sulfonylamino]benzoic acid

Systemtic Name: 4-[[2-(carboxymethylsulfanyl)phenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[2-(carboxymethylsulfanyl)phenyl]sulfonylamino]benzoic acid CAS Name: 4-[[2-(carboxymethylthio)phenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[2-(carboxymethylsulfanyl)phenyl]sulfonylamino]benzoic acid Traditional Name: 4-[[2-(carboxymethylthio)phenyl]sulfonylamino]benzoic acid Formula: C15H13NO6S2 MolecularWeight: 367.39682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)SCC(=O)O)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)SCC(=O)O)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H13NO6S2/c17-14(18)9-23-12-3-1-2-4-13(12)24(21,22)16-11-7-5-10(6-8-11)15(19)20/h1-8,16H,9H2,(H,17,18)(H,19,20)