2-(2-carboxyethylsulfamoyl)-4-[[4-(trifluoromethyl)phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-(2-carboxyethylsulfamoyl)-4-[[4-(trifluoromethyl)phenyl]carbonylamino]benzoic acid Openeye Name: 2-(2-carboxyethylsulfamoyl)-4-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid CAS Name: 2-(2-carboxyethylsulfamoyl)-4-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]benzoic acid IUPAC Name: 2-(2-carboxyethylsulfamoyl)-4-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid Traditional Name: 2-(2-carboxyethylsulfamoyl)-4-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid Formula: C18H15F3N2O7S MolecularWeight: 460.38111

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)O)S(=O)(=O)NCCC(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)O)S(=O)(=O)NCCC(=O)O)C(F)(F)F

InChI

InChI=1S/C18H15F3N2O7S/c19-18(20,21)11-3-1-10(2-4-11)16(26)23-12-5-6-13(17(27)28)14(9-12)31(29,30)22-8-7-15(24)25/h1-6,9,22H,7-8H2,(H,23,26)(H,24,25)(H,27,28)