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

Systemtic Name: 1-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl]piperidin-3-one Openeye Name: 1-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridyl]piperidin-3-one CAS Name: 1-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-3-piperidinone IUPAC Name: 1-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl]piperidin-3-one Traditional Name: 1-[3-(4-mesylphenyl)-5-(trifluoromethyl)-2-pyridyl]-3-piperidone Formula: C18H17F3N2O3S MolecularWeight: 398.39939

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=CN=C2N3CCCC(=O)C3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=CN=C2N3CCCC(=O)C3)C(F)(F)F

InChI

InChI=1S/C18H17F3N2O3S/c1-27(25,26)15-6-4-12(5-7-15)16-9-13(18(19,20)21)10-22-17(16)23-8-2-3-14(24)11-23/h4-7,9-10H,2-3,8,11H2,1H3