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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O)C(=O)O

InChI

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