ethyl 1-methylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-methylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-methylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-mesyl-4-[3-(trifluoromethyl)benzyl]isonipecotic acid ethyl ester Formula: C17H22F3NO4S MolecularWeight: 393.42109

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C)CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C)CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C17H22F3NO4S/c1-3-25-15(22)16(7-9-21(10-8-16)26(2,23)24)12-13-5-4-6-14(11-13)17(18,19)20/h4-6,11H,3,7-10,12H2,1-2H3