ethyl 4-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[oxo-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]methyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H28F3N3O5S MolecularWeight: 491.52433

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H28F3N3O5S/c1-2-32-20(29)26-10-8-17(9-11-26)25-19(28)15-6-12-27(13-7-15)33(30,31)18-5-3-4-16(14-18)21(22,23)24/h3-5,14-15,17H,2,6-13H2,1H3,(H,25,28)