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

Systemtic Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-5-methyl-isoindole-1,3-dione Openeye Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-5-methyl-isoindoline-1,3-dione CAS Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-5-methylisoindole-1,3-dione IUPAC Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-5-methylisoindole-1,3-dione Traditional Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-2-mesyl-ethyl]-5-methyl-isoindoline-1,3-quinone Formula: C21H23NO6S MolecularWeight: 417.47542

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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)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6S/c1-5-28-19-11-14(7-9-18(19)27-3)17(12-29(4,25)26)22-20(23)15-8-6-13(2)10-16(15)21(22)24/h6-11,17H,5,12H2,1-4H3