2-[1-(3,4-dimethoxyphenyl)-2-methylsulfonyl-ethyl]-4-(1H-pyrrol-2-yl)isoindole-1,3-dione

Systemtic Name: 2-[1-(3,4-dimethoxyphenyl)-2-methylsulfonyl-ethyl]-4-(1H-pyrrol-2-yl)isoindole-1,3-dione Openeye Name: 2-[1-(3,4-dimethoxyphenyl)-2-methylsulfonyl-ethyl]-4-(1H-pyrrol-2-yl)isoindoline-1,3-dione CAS Name: 2-[1-(3,4-dimethoxyphenyl)-2-methylsulfonylethyl]-4-(1H-pyrrol-2-yl)isoindole-1,3-dione IUPAC Name: 2-[1-(3,4-dimethoxyphenyl)-2-methylsulfonylethyl]-4-(1H-pyrrol-2-yl)isoindole-1,3-dione Traditional Name: 2-[1-(3,4-dimethoxyphenyl)-2-mesyl-ethyl]-4-(1H-pyrrol-2-yl)isoindoline-1,3-quinone Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CS(=O)(=O)C)N2C(=O)C3=CC=CC(=C3C2=O)C4=CC=CN4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CS(=O)(=O)C)N2C(=O)C3=CC=CC(=C3C2=O)C4=CC=CN4)OC

InChI

InChI=1S/C23H22N2O6S/c1-30-19-10-9-14(12-20(19)31-2)18(13-32(3,28)29)25-22(26)16-7-4-6-15(21(16)23(25)27)17-8-5-11-24-17/h4-12,18,24H,13H2,1-3H3