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

Systemtic Name: 5-azanyl-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]isoindole-1,3-dione Openeye Name: 5-amino-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]isoindoline-1,3-dione CAS Name: 5-amino-2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]isoindole-1,3-dione IUPAC Name: 5-amino-2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]isoindole-1,3-dione Traditional Name: 5-amino-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-mesyl-ethyl]isoindoline-1,3-quinone Formula: C20H22N2O6S MolecularWeight: 418.46348

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-4-28-18-9-12(5-8-17(18)27-2)16(11-29(3,25)26)22-19(23)14-7-6-13(21)10-15(14)20(22)24/h5-10,16H,4,11,21H2,1-3H3