[1-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl]azepan-3-yl]methanol

Systemtic Name: [1-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl]azepan-3-yl]methanol Openeye Name: [1-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridyl]azepan-3-yl]methanol CAS Name: [1-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-3-azepanyl]methanol IUPAC Name: [1-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl]azepan-3-yl]methanol Traditional Name: [1-[3-(4-mesylphenyl)-5-(trifluoromethyl)-2-pyridyl]azepan-3-yl]methanol Formula: C20H23F3N2O3S MolecularWeight: 428.46843

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=CN=C2N3CCCCC(C3)CO)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=CN=C2N3CCCCC(C3)CO)C(F)(F)F

InChI

InChI=1S/C20H23F3N2O3S/c1-29(27,28)17-7-5-15(6-8-17)18-10-16(20(21,22)23)11-24-19(18)25-9-3-2-4-14(12-25)13-26/h5-8,10-11,14,26H,2-4,9,12-13H2,1H3