[4-[2-(2-ethoxyethoxymethyl)-6-(trifluoromethyl)pyridin-3-yl]carbonyl-2-methyl-pyrazol-3-yl] methanesulfonate

Systemtic Name: [4-[2-(2-ethoxyethoxymethyl)-6-(trifluoromethyl)pyridin-3-yl]carbonyl-2-methyl-pyrazol-3-yl] methanesulfonate Openeye Name: [4-[2-(2-ethoxyethoxymethyl)-6-(trifluoromethyl)pyridine-3-carbonyl]-2-methyl-pyrazol-3-yl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-(2-ethoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]-oxomethyl]-2-methyl-3-pyrazolyl] ester IUPAC Name: [4-[2-(2-ethoxyethoxymethyl)-6-(trifluoromethyl)pyridine-3-carbonyl]-2-methylpyrazol-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [4-[2-(2-ethoxyethoxymethyl)-6-(trifluoromethyl)nicotinoyl]-2-methyl-pyrazol-3-yl] ester Formula: C17H20F3N3O6S MolecularWeight: 451.41741

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOCC1=C(C=CC(=N1)C(F)(F)F)C(=O)C2=C(N(N=C2)C)OS(=O)(=O)C

Isomeric SMILES

CCOCCOCC1=C(C=CC(=N1)C(F)(F)F)C(=O)C2=C(N(N=C2)C)OS(=O)(=O)C

InChI

InChI=1S/C17H20F3N3O6S/c1-4-27-7-8-28-10-13-11(5-6-14(22-13)17(18,19)20)15(24)12-9-21-23(2)16(12)29-30(3,25)26/h5-6,9H,4,7-8,10H2,1-3H3