dimethyl 5-(3-morpholin-4-ylcarbonylpiperidin-1-yl)sulfonylbenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(3-morpholin-4-ylcarbonylpiperidin-1-yl)sulfonylbenzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[3-(morpholine-4-carbonyl)-1-piperidyl]sulfonyl]benzene-1,3-dicarboxylate CAS Name: 5-[[3-[4-morpholinyl(oxo)methyl]-1-piperidinyl]sulfonyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylbenzene-1,3-dicarboxylate Traditional Name: 5-[3-(morpholine-4-carbonyl)piperidino]sulfonylbenzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H26N2O8S MolecularWeight: 454.49404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCOCC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCOCC3)C(=O)OC

InChI

InChI=1S/C20H26N2O8S/c1-28-19(24)15-10-16(20(25)29-2)12-17(11-15)31(26,27)22-5-3-4-14(13-22)18(23)21-6-8-30-9-7-21/h10-12,14H,3-9,13H2,1-2H3