4-[3-(4-sulfamoylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]benzoic acid

Systemtic Name: 4-[3-(4-sulfamoylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]benzoic acid Openeye Name: 4-[3-(4-sulfamoylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]benzoic acid CAS Name: 4-[3-(4-sulfamoylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]benzoic acid IUPAC Name: 4-[3-(4-sulfamoylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]benzoic acid Traditional Name: 4-[3-(4-sulfamoylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]benzoic acid Formula: C17H12F3N3O4S MolecularWeight: 411.35509

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(NN=C2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(NN=C2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)C(=O)O

InChI

InChI=1S/C17H12F3N3O4S/c18-17(19,20)15-13(9-1-3-11(4-2-9)16(24)25)14(22-23-15)10-5-7-12(8-6-10)28(21,26)27/h1-8H,(H,22,23)(H,24,25)(H2,21,26,27)