[3-(trifluoromethyl)phenyl]methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid [3-(trifluoromethyl)benzyl] ester Formula: C21H22F3NO4S MolecularWeight: 441.46389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H22F3NO4S/c1-15-5-7-19(8-6-15)30(27,28)25-11-9-17(10-12-25)20(26)29-14-16-3-2-4-18(13-16)21(22,23)24/h2-8,13,17H,9-12,14H2,1H3