2-(3,4-dimethoxyphenyl)-4-[(3S)-3-thiomorpholin-4-ylcarbonylpiperidin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-(3,4-dimethoxyphenyl)-4-[(3S)-3-thiomorpholin-4-ylcarbonylpiperidin-1-yl]isoindole-1,3-dione Openeye Name: 2-(3,4-dimethoxyphenyl)-4-[(3S)-3-(thiomorpholine-4-carbonyl)-1-piperidyl]isoindoline-1,3-dione CAS Name: 2-(3,4-dimethoxyphenyl)-4-[(3S)-3-[oxo(thiomorpholin-4-yl)methyl]-1-piperidinyl]isoindole-1,3-dione IUPAC Name: 2-(3,4-dimethoxyphenyl)-4-[(3S)-3-(thiomorpholine-4-carbonyl)piperidin-1-yl]isoindole-1,3-dione Traditional Name: 2-(3,4-dimethoxyphenyl)-4-[(3S)-3-(thiomorpholine-4-carbonyl)piperidino]isoindoline-1,3-quinone Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCCC(C4)C(=O)N5CCSCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCC[C@@H](C4)C(=O)N5CCSCC5)OC

InChI

InChI=1S/C26H29N3O5S/c1-33-21-9-8-18(15-22(21)34-2)29-25(31)19-6-3-7-20(23(19)26(29)32)28-10-4-5-17(16-28)24(30)27-11-13-35-14-12-27/h3,6-9,15,17H,4-5,10-14,16H2,1-2H3/t17-/m0/s1