2-[[3-[(4-carboxyphenyl)sulfamoyl]phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[3-[(4-carboxyphenyl)sulfamoyl]phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[3-[(4-carboxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid CAS Name: 2-[[[3-[(4-carboxyphenyl)sulfamoyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[3-[(4-carboxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid Traditional Name: 2-[[3-[(4-carboxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid Formula: C21H16N2O7S MolecularWeight: 440.42594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H16N2O7S/c24-19(22-18-7-2-1-6-17(18)21(27)28)14-4-3-5-16(12-14)31(29,30)23-15-10-8-13(9-11-15)20(25)26/h1-12,23H,(H,22,24)(H,25,26)(H,27,28)