[2-ethyl-5-methyl-4-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]carbonyl-pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-ethyl-5-methyl-4-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]carbonyl-pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [2-ethyl-5-methyl-4-[2-methylsulfonyl-4-(trifluoromethyl)benzoyl]pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-ethyl-5-methyl-4-[[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-oxomethyl]-3-pyrazolyl] ester IUPAC Name: [2-ethyl-5-methyl-4-[2-methylsulfonyl-4-(trifluoromethyl)benzoyl]pyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-ethyl-4-[2-mesyl-4-(trifluoromethyl)benzoyl]-5-methyl-pyrazol-3-yl] ester Formula: C22H21F3N2O6S2 MolecularWeight: 530.53715

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C(=O)C2=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)C)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C(=O)C2=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)C)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H21F3N2O6S2/c1-5-27-21(33-35(31,32)16-9-6-13(2)7-10-16)19(14(3)26-27)20(28)17-11-8-15(22(23,24)25)12-18(17)34(4,29)30/h6-12H,5H2,1-4H3