ethyl 1-prop-2-enylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-prop-2-enylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-allylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-prop-2-enylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-prop-2-enylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-allylsulfonyl-4-[3-(trifluoromethyl)benzyl]isonipecotic acid ethyl ester Formula: C19H24F3NO4S MolecularWeight: 419.45837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24F3NO4S/c1-3-12-28(25,26)23-10-8-18(9-11-23,17(24)27-4-2)14-15-6-5-7-16(13-15)19(20,21)22/h3,5-7,13H,1,4,8-12,14H2,2H3