[2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [2-(2-chlorophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(2-chlorophenyl)-5-phenylpyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C22H14ClF3N2O3S MolecularWeight: 478.87137

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)OS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)OS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H14ClF3N2O3S/c23-18-11-4-5-12-20(18)28-21(14-19(27-28)15-7-2-1-3-8-15)31-32(29,30)17-10-6-9-16(13-17)22(24,25)26/h1-14H