4-[[5-chloranyl-2-[(4-methoxyphenyl)sulfonylamino]phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[5-chloranyl-2-[(4-methoxyphenyl)sulfonylamino]phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[5-chloro-2-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid CAS Name: 4-[[[5-chloro-2-[(4-methoxyphenyl)sulfonylamino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[5-chloro-2-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid Traditional Name: 4-[[5-chloro-2-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid Formula: C21H17ClN2O6S MolecularWeight: 460.88748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H17ClN2O6S/c1-30-16-7-9-17(10-8-16)31(28,29)24-19-11-4-14(22)12-18(19)20(25)23-15-5-2-13(3-6-15)21(26)27/h2-12,24H,1H3,(H,23,25)(H,26,27)