2-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidyl]methyl]isoindoline-1,3-quinone Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CN3C(=O)C4=CC=CC=C4C3=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CN3C(=O)C4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C22H24N2O6S/c1-29-19-8-7-16(13-20(19)30-2)31(27,28)23-11-9-15(10-12-23)14-24-21(25)17-5-3-4-6-18(17)22(24)26/h3-8,13,15H,9-12,14H2,1-2H3