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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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