[(2R)-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [(1R)-2-keto-1-methyl-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C22H23F3N2O5S MolecularWeight: 484.48863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(F)(F)F)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H23F3N2O5S/c1-15(20(28)26-18-10-8-17(9-11-18)22(23,24)25)32-21(29)16-6-5-7-19(14-16)33(30,31)27-12-3-2-4-13-27/h5-11,14-15H,2-4,12-13H2,1H3,(H,26,28)/t15-/m1/s1