[(2R)-1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [(1R)-2-keto-1-methyl-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C20H21F3N2O5S2 MolecularWeight: 490.51635

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(F)(F)F)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C(F)(F)F)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H21F3N2O5S2/c1-13(18(26)24-16-5-2-4-15(12-16)20(21,22)23)30-19(27)14-7-9-25(10-8-14)32(28,29)17-6-3-11-31-17/h2-6,11-14H,7-10H2,1H3,(H,24,26)/t13-/m1/s1