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

Systemtic Name: [1-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethylamino]propan-2-yl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-keto-1-methyl-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C18H23F3N2O5S MolecularWeight: 436.44583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23F3N2O5S/c1-12-6-7-14(10-15(12)29(26,27)23-8-4-3-5-9-23)17(25)28-13(2)16(24)22-11-18(19,20)21/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,22,24)