[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-(1-piperidyl)-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidino-3-piperidinosulfonyl-benzoic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C21H28F3N3O5S MolecularWeight: 491.52433

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NCC(F)(F)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NCC(F)(F)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H28F3N3O5S/c22-21(23,24)15-25-19(28)14-32-20(29)16-7-8-17(26-9-3-1-4-10-26)18(13-16)33(30,31)27-11-5-2-6-12-27/h7-8,13H,1-6,9-12,14-15H2,(H,25,28)