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

Systemtic Name: methyl 4-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]butanoate CAS Name: 4-[[oxo-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]butanoate Traditional Name: 4-[[1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotoyl]amino]butyric acid methyl ester Formula: C18H23F3N2O5S MolecularWeight: 436.44583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23F3N2O5S/c1-28-16(24)6-3-9-22-17(25)13-7-10-23(11-8-13)29(26,27)15-5-2-4-14(12-15)18(19,20)21/h2,4-5,12-13H,3,6-11H2,1H3,(H,22,25)