[(2R,4S)-1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl-methyl-carbamoyl]-2-(4-fluoranyl-2-methyl-phenyl)piperidin-4-yl] 1-oxidanylidene-1,4-thiazinane-4-carboxylate

Systemtic Name: [(2R,4S)-1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl-methyl-carbamoyl]-2-(4-fluoranyl-2-methyl-phenyl)piperidin-4-yl] 1-oxidanylidene-1,4-thiazinane-4-carboxylate Openeye Name: [(2R,4S)-1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl-methyl-carbamoyl]-2-(4-fluoro-2-methyl-phenyl)-4-piperidyl] 1-oxo-1,4-thiazinane-4-carboxylate CAS Name: 1-oxo-1,4-thiazinane-4-carboxylic acid [(2R,4S)-1-[[1-[3,5-bis(trifluoromethyl)phenyl]ethyl-methylamino]-oxomethyl]-2-(4-fluoro-2-methylphenyl)-4-piperidinyl] ester IUPAC Name: [(2R,4S)-1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl-methylcarbamoyl]-2-(4-fluoro-2-methylphenyl)piperidin-4-yl] 1-oxo-1,4-thiazinane-4-carboxylate Traditional Name: 1-keto-1,4-thiazinane-4-carboxylic acid [(2R,4S)-1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl-methyl-carbamoyl]-2-(4-fluoro-2-methyl-phenyl)-4-piperidyl] ester Formula: C29H32F7N3O4S MolecularWeight: 651.635902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2CC(CCN2C(=O)N(C)C(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)OC(=O)N4CCS(=O)CC4

Isomeric SMILES

CC1=C(C=CC(=C1)F)[C@H]2C[C@H](CCN2C(=O)N(C)C(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)OC(=O)N4CCS(=O)CC4

InChI

InChI=1S/C29H32F7N3O4S/c1-17-12-22(30)4-5-24(17)25-16-23(43-27(41)38-8-10-44(42)11-9-38)6-7-39(25)26(40)37(3)18(2)19-13-20(28(31,32)33)15-21(14-19)29(34,35)36/h4-5,12-15,18,23,25H,6-11,16H2,1-3H3/t18?,23-,25+/m0/s1