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

Systemtic Name: [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [5-tert-butyl-2-(3-fluorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] ester Formula: C20H18F4N2O3S MolecularWeight: 442.427133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H18F4N2O3S/c1-19(2,3)17-12-18(26(25-17)15-8-5-7-14(21)11-15)29-30(27,28)16-9-4-6-13(10-16)20(22,23)24/h4-12H,1-3H3