4-[3-(4-sulfamoylphenyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-yl]benzoic acid

Systemtic Name: 4-[3-(4-sulfamoylphenyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-yl]benzoic acid Openeye Name: 4-[3-(4-sulfamoylphenyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-yl]benzoic acid CAS Name: 4-[3-(4-sulfamoylphenyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-yl]benzoic acid IUPAC Name: 4-[3-(4-sulfamoylphenyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-yl]benzoic acid Traditional Name: 4-[3-(4-sulfamoylphenyl)-5-(trifluoromethyl)-3-pyrazolin-3-yl]benzoic acid Formula: C17H14F3N3O4S MolecularWeight: 413.37097

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)C2(C=C(NN2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)C2(C=C(NN2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H14F3N3O4S/c18-17(19,20)14-9-16(23-22-14,11-3-1-10(2-4-11)15(24)25)12-5-7-13(8-6-12)28(21,26)27/h1-9,22-23H,(H,24,25)(H2,21,26,27)