dimethyl 4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-1,4-dicarboxylate

Systemtic Name: dimethyl 4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-1,4-dicarboxylate Openeye Name: dimethyl 4-[[4-[4-(trifluoromethyl)phenoxy]-1-piperidyl]sulfonyl]piperidine-1,4-dicarboxylate CAS Name: 4-[[4-[4-(trifluoromethyl)phenoxy]-1-piperidinyl]sulfonyl]piperidine-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-1,4-dicarboxylate Traditional Name: 4-[4-[4-(trifluoromethyl)phenoxy]piperidino]sulfonylpiperidine-1,4-dicarboxylic acid dimethyl ester Formula: C21H27F3N2O7S MolecularWeight: 508.50849

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)OC)S(=O)(=O)N2CCC(CC2)OC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)OC)S(=O)(=O)N2CCC(CC2)OC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H27F3N2O7S/c1-31-18(27)20(9-13-25(14-10-20)19(28)32-2)34(29,30)26-11-7-17(8-12-26)33-16-5-3-15(4-6-16)21(22,23)24/h3-6,17H,7-14H2,1-2H3