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

Systemtic Name: ethyl 1-(4-methylphenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(p-tolylsulfonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methylphenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-tosyl-4-[3-(trifluoromethyl)benzyl]isonipecotic acid ethyl ester Formula: C23H26F3NO4S MolecularWeight: 469.51705

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C23H26F3NO4S/c1-3-31-21(28)22(16-18-5-4-6-19(15-18)23(24,25)26)11-13-27(14-12-22)32(29,30)20-9-7-17(2)8-10-20/h4-10,15H,3,11-14,16H2,1-2H3