methyl 1-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 1-[[oxo-[1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]methyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C21H27F3N2O5S MolecularWeight: 476.50969

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H27F3N2O5S/c1-31-19(28)20(11-5-2-6-12-20)25-18(27)15-9-13-26(14-10-15)32(29,30)17-8-4-3-7-16(17)21(22,23)24/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,25,27)