3-[[2-chloranyl-5-[(4-methoxyphenyl)sulfamoyl]phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-[[2-chloranyl-5-[(4-methoxyphenyl)sulfamoyl]phenyl]carbonylamino]benzoic acid Openeye Name: 3-[[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid CAS Name: 3-[[[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid Traditional Name: 3-[[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid Formula: C21H17ClN2O6S MolecularWeight: 460.88748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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