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

Systemtic Name: 3-[[4-[4-[(3-carboxyphenyl)carbamoyl]phenyl]sulfonylphenyl]carbonylamino]benzoic acid Openeye Name: 3-[[4-[4-[(3-carboxyphenyl)carbamoyl]phenyl]sulfonylbenzoyl]amino]benzoic acid CAS Name: 3-[[[4-[4-[(3-carboxyanilino)-oxomethyl]phenyl]sulfonylphenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[4-[4-[(3-carboxyphenyl)carbamoyl]phenyl]sulfonylbenzoyl]amino]benzoic acid Traditional Name: 3-[[4-[4-[(3-carboxyphenyl)carbamoyl]phenyl]sulfonylbenzoyl]amino]benzoic acid Formula: C28H20N2O8S MolecularWeight: 544.532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C28H20N2O8S/c31-25(29-21-5-1-3-19(15-21)27(33)34)17-7-11-23(12-8-17)39(37,38)24-13-9-18(10-14-24)26(32)30-22-6-2-4-20(16-22)28(35)36/h1-16H,(H,29,31)(H,30,32)(H,33,34)(H,35,36)