1-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl]oxymethyl]cyclohexan-1-ol

Systemtic Name: 1-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl]oxymethyl]cyclohexan-1-ol Openeye Name: 1-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridyl]oxymethyl]cyclohexanol CAS Name: 1-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1-cyclohexanol IUPAC Name: 1-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl]oxymethyl]cyclohexan-1-ol Traditional Name: 1-[[3-(3-mesylphenyl)-5-(trifluoromethyl)-2-pyridyl]oxymethyl]cyclohexanol Formula: C20H22F3NO4S MolecularWeight: 429.45319

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C2=CC(=CN=C2OCC3(CCCCC3)O)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C2=CC(=CN=C2OCC3(CCCCC3)O)C(F)(F)F

InChI

InChI=1S/C20H22F3NO4S/c1-29(26,27)16-7-5-6-14(10-16)17-11-15(20(21,22)23)12-24-18(17)28-13-19(25)8-3-2-4-9-19/h5-7,10-12,25H,2-4,8-9,13H2,1H3