methyl 2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]acetate CAS Name: 2-[[oxo-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]acetate Traditional Name: 2-[[1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotoyl]amino]acetic acid methyl ester Formula: C16H19F3N2O5S MolecularWeight: 408.39267

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

COC(=O)CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C16H19F3N2O5S/c1-26-14(22)10-20-15(23)11-5-7-21(8-6-11)27(24,25)13-4-2-3-12(9-13)16(17,18)19/h2-4,9,11H,5-8,10H2,1H3,(H,20,23)