[2-(trifluoromethyl)phenyl]methyl 1-(4-ethanoylphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: [2-(trifluoromethyl)phenyl]methyl 1-(4-ethanoylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: [2-(trifluoromethyl)phenyl]methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate CAS Name: 1-(4-acetylphenyl)sulfonyl-2-piperidinecarboxylic acid [2-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [2-(trifluoromethyl)phenyl]methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-(4-acetylphenyl)sulfonylpipecolinic acid [2-(trifluoromethyl)benzyl] ester Formula: C22H22F3NO5S MolecularWeight: 469.47399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H22F3NO5S/c1-15(27)16-9-11-18(12-10-16)32(29,30)26-13-5-4-8-20(26)21(28)31-14-17-6-2-3-7-19(17)22(23,24)25/h2-3,6-7,9-12,20H,4-5,8,13-14H2,1H3