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

Systemtic Name: [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [5-tert-butyl-2-(3,4-dichlorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] ester Formula: C20H17Cl2F3N2O3S MolecularWeight: 493.32679

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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(=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H17Cl2F3N2O3S/c1-19(2,3)17-11-18(27(26-17)13-7-8-15(21)16(22)10-13)30-31(28,29)14-6-4-5-12(9-14)20(23,24)25/h4-11H,1-3H3