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

Systemtic Name: methyl 1-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotoyl]isonipecotic acid methyl ester Formula: C20H25F3N2O5S MolecularWeight: 462.48311

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H25F3N2O5S/c1-30-19(27)15-5-9-24(10-6-15)18(26)14-7-11-25(12-8-14)31(28,29)17-4-2-3-16(13-17)20(21,22)23/h2-4,13-15H,5-12H2,1H3