ethyl 4-[4-[3-(trifluoromethyl)piperidin-1-yl]carbonylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[3-(trifluoromethyl)piperidin-1-yl]carbonylpiperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[3-(trifluoromethyl)piperidine-1-carbonyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[oxo-[3-(trifluoromethyl)-1-piperidinyl]methyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidino]sulfonylbenzoic acid ethyl ester Formula: C21H27F3N2O5S MolecularWeight: 476.50969

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC(C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC(C3)C(F)(F)F

InChI

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