4-[[3-[(4-carboxyphenyl)sulfamoyl]-4-fluoranyl-phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[3-[(4-carboxyphenyl)sulfamoyl]-4-fluoranyl-phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[3-[(4-carboxyphenyl)sulfamoyl]-4-fluoro-benzoyl]amino]benzoic acid CAS Name: 4-[[[3-[(4-carboxyphenyl)sulfamoyl]-4-fluorophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-[(4-carboxyphenyl)sulfamoyl]-4-fluorobenzoyl]amino]benzoic acid Traditional Name: 4-[[3-[(4-carboxyphenyl)sulfamoyl]-4-fluoro-benzoyl]amino]benzoic acid Formula: C21H15FN2O7S MolecularWeight: 458.416403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H15FN2O7S/c22-17-10-5-14(19(25)23-15-6-1-12(2-7-15)20(26)27)11-18(17)32(30,31)24-16-8-3-13(4-9-16)21(28)29/h1-11,24H,(H,23,25)(H,26,27)(H,28,29)