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

Systemtic Name: 1-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl]azepane Openeye Name: 1-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridyl]azepane CAS Name: 1-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]azepane IUPAC Name: 1-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl]azepane Traditional Name: 1-[3-(4-mesylphenyl)-5-(trifluoromethyl)-2-pyridyl]azepane Formula: C19H21F3N2O2S MolecularWeight: 398.44245

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=CN=C2N3CCCCCC3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=CN=C2N3CCCCCC3)C(F)(F)F

InChI

InChI=1S/C19H21F3N2O2S/c1-27(25,26)16-8-6-14(7-9-16)17-12-15(19(20,21)22)13-23-18(17)24-10-4-2-3-5-11-24/h6-9,12-13H,2-5,10-11H2,1H3