methyl 2-[4-[3-(trifluoromethyl)piperidin-1-yl]carbonylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[3-(trifluoromethyl)piperidin-1-yl]carbonylpiperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[3-(trifluoromethyl)piperidine-1-carbonyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[oxo-[3-(trifluoromethyl)-1-piperidinyl]methyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C20H25F3N2O5S MolecularWeight: 462.48311

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC(C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC(C3)C(F)(F)F

InChI

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