[2-(3-fluorophenyl)-5-propan-2-yl-pyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [2-(3-fluorophenyl)-5-propan-2-yl-pyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [2-(3-fluorophenyl)-5-isopropyl-pyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [2-(3-fluorophenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(3-fluorophenyl)-5-propan-2-ylpyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [2-(3-fluorophenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C19H16F4N2O3S MolecularWeight: 428.400553

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16F4N2O3S/c1-12(2)17-11-18(25(24-17)15-7-4-6-14(20)10-15)28-29(26,27)16-8-3-5-13(9-16)19(21,22)23/h3-12H,1-2H3