[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C17H21F3N2O5S MolecularWeight: 422.41925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC(=O)NCC(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC(=O)NCC(F)(F)F

InChI

InChI=1S/C17H21F3N2O5S/c1-12-5-6-13(28(25,26)22-7-3-2-4-8-22)9-14(12)16(24)27-10-15(23)21-11-17(18,19)20/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,21,23)