2-[[4-[4-[(2-carboxyphenyl)carbamoyl]phenyl]sulfonylphenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[4-[4-[(2-carboxyphenyl)carbamoyl]phenyl]sulfonylphenyl]carbonylamino]benzoic acid Openeye Name: 2-[[4-[4-[(2-carboxyphenyl)carbamoyl]phenyl]sulfonylbenzoyl]amino]benzoic acid CAS Name: 2-[[[4-[4-[(2-carboxyanilino)-oxomethyl]phenyl]sulfonylphenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-[4-[(2-carboxyphenyl)carbamoyl]phenyl]sulfonylbenzoyl]amino]benzoic acid Traditional Name: 2-[[4-[4-[(2-carboxyphenyl)carbamoyl]phenyl]sulfonylbenzoyl]amino]benzoic acid Formula: C28H20N2O8S MolecularWeight: 544.532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4C(=O)O

InChI

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