methyl 7-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylamino]heptanoate

Systemtic Name: methyl 7-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylamino]heptanoate Openeye Name: methyl 7-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]heptanoate CAS Name: 7-[[oxo-[1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]methyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]heptanoate Traditional Name: 7-[[1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotoyl]amino]enanthic acid methyl ester Formula: C21H29F3N2O5S MolecularWeight: 478.52557

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

COC(=O)CCCCCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C21H29F3N2O5S/c1-31-19(27)10-4-2-3-7-13-25-20(28)16-11-14-26(15-12-16)32(29,30)18-9-6-5-8-17(18)21(22,23)24/h5-6,8-9,16H,2-4,7,10-15H2,1H3,(H,25,28)