4-(dimethylamino)-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]isoindole-1,3-dione

Systemtic Name: 4-(dimethylamino)-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]isoindole-1,3-dione Openeye Name: 4-(dimethylamino)-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]isoindoline-1,3-dione CAS Name: 4-(dimethylamino)-2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]isoindole-1,3-dione IUPAC Name: 4-(dimethylamino)-2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]isoindole-1,3-dione Traditional Name: 4-(dimethylamino)-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-mesyl-ethyl]isoindoline-1,3-quinone Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)N(C)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)N(C)C)OC

InChI

InChI=1S/C22H26N2O6S/c1-6-30-19-12-14(10-11-18(19)29-4)17(13-31(5,27)28)24-21(25)15-8-7-9-16(23(2)3)20(15)22(24)26/h7-12,17H,6,13H2,1-5H3