3-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl]oxymethyl]pentan-3-ol

Systemtic Name: 3-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl]oxymethyl]pentan-3-ol Openeye Name: 3-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridyl]oxymethyl]pentan-3-ol CAS Name: 3-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-pentanol IUPAC Name: 3-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl]oxymethyl]pentan-3-ol Traditional Name: 3-[[3-(3-mesylphenyl)-5-(trifluoromethyl)-2-pyridyl]oxymethyl]pentan-3-ol Formula: C19H22F3NO4S MolecularWeight: 417.44249

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(COC1=NC=C(C=C1C2=CC(=CC=C2)S(=O)(=O)C)C(F)(F)F)O

Isomeric SMILES

CCC(CC)(COC1=NC=C(C=C1C2=CC(=CC=C2)S(=O)(=O)C)C(F)(F)F)O

InChI

InChI=1S/C19H22F3NO4S/c1-4-18(24,5-2)12-27-17-16(10-14(11-23-17)19(20,21)22)13-7-6-8-15(9-13)28(3,25)26/h6-11,24H,4-5,12H2,1-3H3