(5-tert-butyl-2-phenyl-pyrazol-3-yl) 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: (5-tert-butyl-2-phenyl-pyrazol-3-yl) 3-(trifluoromethyl)benzenesulfonate Openeye Name: (5-tert-butyl-2-phenyl-pyrazol-3-yl) 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid (5-tert-butyl-2-phenyl-3-pyrazolyl) ester IUPAC Name: (5-tert-butyl-2-phenylpyrazol-3-yl) 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid (5-tert-butyl-2-phenyl-pyrazol-3-yl) ester Formula: C20H19F3N2O3S MolecularWeight: 424.43667

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19F3N2O3S/c1-19(2,3)17-13-18(25(24-17)15-9-5-4-6-10-15)28-29(26,27)16-11-7-8-14(12-16)20(21,22)23/h4-13H,1-3H3