[4-[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)pyridin-3-yl]carbonyl-2-methyl-pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)pyridin-3-yl]carbonyl-2-methyl-pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [4-[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)pyridine-3-carbonyl]-2-methyl-pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]-oxomethyl]-2-methyl-3-pyrazolyl] ester IUPAC Name: [4-[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)pyridine-3-carbonyl]-2-methylpyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)nicotinoyl]-2-methyl-pyrazol-3-yl] ester Formula: C22H22F3N3O6S MolecularWeight: 513.48679

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=NN2C)C(=O)C3=C(N=C(C=C3)C(F)(F)F)COCCOC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=NN2C)C(=O)C3=C(N=C(C=C3)C(F)(F)F)COCCOC

InChI

InChI=1S/C22H22F3N3O6S/c1-14-4-6-15(7-5-14)35(30,31)34-21-17(12-26-28(21)2)20(29)16-8-9-19(22(23,24)25)27-18(16)13-33-11-10-32-3/h4-9,12H,10-11,13H2,1-3H3