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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C2=CC(=CN=C2N3CCCCC3=O)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C2=CC(=CN=C2N3CCCCC3=O)C(F)(F)F

InChI

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