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

Systemtic Name: [5-cyclopropyl-2-methyl-4-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]carbonyl-pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [5-cyclopropyl-2-methyl-4-[2-methylsulfonyl-4-(trifluoromethyl)benzoyl]pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-cyclopropyl-2-methyl-4-[[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-oxomethyl]-3-pyrazolyl] ester IUPAC Name: [5-cyclopropyl-2-methyl-4-[2-methylsulfonyl-4-(trifluoromethyl)benzoyl]pyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-cyclopropyl-4-[2-mesyl-4-(trifluoromethyl)benzoyl]-2-methyl-pyrazol-3-yl] ester Formula: C23H21F3N2O6S2 MolecularWeight: 542.54785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=NN2C)C3CC3)C(=O)C4=C(C=C(C=C4)C(F)(F)F)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=NN2C)C3CC3)C(=O)C4=C(C=C(C=C4)C(F)(F)F)S(=O)(=O)C

InChI

InChI=1S/C23H21F3N2O6S2/c1-13-4-9-16(10-5-13)36(32,33)34-22-19(20(14-6-7-14)27-28(22)2)21(29)17-11-8-15(23(24,25)26)12-18(17)35(3,30)31/h4-5,8-12,14H,6-7H2,1-3H3