4-[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl]oxybutan-2-yl ethanoate

Systemtic Name: 4-[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl]oxybutan-2-yl ethanoate Openeye Name: [1-methyl-3-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridyl]oxy]propyl] acetate CAS Name: acetic acid 4-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-yl ester IUPAC Name: 4-[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl]oxybutan-2-yl acetate Traditional Name: acetic acid [3-[[3-(3-mesylphenyl)-5-(trifluoromethyl)-2-pyridyl]oxy]-1-methyl-propyl] ester Formula: C19H20F3NO5S MolecularWeight: 431.42601

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=NC=C(C=C1C2=CC(=CC=C2)S(=O)(=O)C)C(F)(F)F)OC(=O)C

Isomeric SMILES

CC(CCOC1=NC=C(C=C1C2=CC(=CC=C2)S(=O)(=O)C)C(F)(F)F)OC(=O)C

InChI

InChI=1S/C19H20F3NO5S/c1-12(28-13(2)24)7-8-27-18-17(10-15(11-23-18)19(20,21)22)14-5-4-6-16(9-14)29(3,25)26/h4-6,9-12H,7-8H2,1-3H3