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

Systemtic Name: 5-(dimethylamino)-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]isoindole-1,3-dione Openeye Name: 5-(dimethylamino)-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]isoindoline-1,3-dione CAS Name: 5-(dimethylamino)-2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]isoindole-1,3-dione IUPAC Name: 5-(dimethylamino)-2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]isoindole-1,3-dione Traditional Name: 5-(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=C(C=C3)N(C)C)OC

Isomeric SMILES

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

InChI

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