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

Systemtic Name: methyl 1-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 1-[[oxo-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]methyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[1-[3-(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(=C3)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H27F3N2O5S/c1-31-19(28)20(10-3-2-4-11-20)25-18(27)15-8-12-26(13-9-15)32(29,30)17-7-5-6-16(14-17)21(22,23)24/h5-7,14-15H,2-4,8-13H2,1H3,(H,25,27)