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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCOC1=NC=C(C=C1C2=CC(=CC=C2)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CC(=O)OCCCCOC1=NC=C(C=C1C2=CC(=CC=C2)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C19H20F3NO5S/c1-13(24)27-8-3-4-9-28-18-17(11-15(12-23-18)19(20,21)22)14-6-5-7-16(10-14)29(2,25)26/h5-7,10-12H,3-4,8-9H2,1-2H3