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

Systemtic Name: 4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid Openeye Name: 4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid CAS Name: 4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1-pyrazolyl]benzoic acid IUPAC Name: 4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid Traditional Name: 4-[5-(4-mesylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid Formula: C18H13F3N2O4S MolecularWeight: 410.36703

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C(=O)O)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C18H13F3N2O4S/c1-28(26,27)14-8-4-11(5-9-14)15-10-16(18(19,20)21)22-23(15)13-6-2-12(3-7-13)17(24)25/h2-10H,1H3,(H,24,25)