[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [5-tert-butyl-2-(2,4-dimethylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] ester Formula: C22H23F3N2O3S MolecularWeight: 452.48983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)(C)C)OS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)(C)C)OS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C

InChI

InChI=1S/C22H23F3N2O3S/c1-14-9-10-18(15(2)11-14)27-20(13-19(26-27)21(3,4)5)30-31(28,29)17-8-6-7-16(12-17)22(23,24)25/h6-13H,1-5H3