ethyl 1-[1-[3-(trifluoromethyloxy)phenyl]sulfonylpiperidin-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-[3-(trifluoromethyloxy)phenyl]sulfonylpiperidin-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[1-[3-(trifluoromethoxy)phenyl]sulfonyl-4-piperidinyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-[3-(trifluoromethoxy)phenyl]sulfonylisonipecotoyl]nipecotic acid ethyl ester Formula: C21H27F3N2O6S MolecularWeight: 492.50909

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)OC(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)OC(F)(F)F

InChI

InChI=1S/C21H27F3N2O6S/c1-2-31-20(28)16-5-4-10-25(14-16)19(27)15-8-11-26(12-9-15)33(29,30)18-7-3-6-17(13-18)32-21(22,23)24/h3,6-7,13,15-16H,2,4-5,8-12,14H2,1H3