ethyl 4-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H26F3N3O5S MolecularWeight: 477.49775

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H26F3N3O5S/c1-2-31-19(28)25-13-11-24(12-14-25)18(27)15-7-9-26(10-8-15)32(29,30)17-6-4-3-5-16(17)20(21,22)23/h3-6,15H,2,7-14H2,1H3