[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [2-keto-2-[2-(trifluoromethyl)anilino]ethyl] ester Formula: C23H25F3N2O5S MolecularWeight: 498.51521

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C23H25F3N2O5S/c24-23(25,26)19-6-2-3-7-20(19)27-21(29)16-33-22(30)13-10-17-8-11-18(12-9-17)34(31,32)28-14-4-1-5-15-28/h2-3,6-9,11-12H,1,4-5,10,13-16H2,(H,27,29)