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

Systemtic Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-4-methoxy-isoindole-1,3-dione Openeye Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-4-methoxy-isoindoline-1,3-dione CAS Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-4-methoxyisoindole-1,3-dione IUPAC Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-4-methoxyisoindole-1,3-dione Traditional Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-2-mesyl-ethyl]-4-methoxy-isoindoline-1,3-quinone Formula: C21H23NO7S MolecularWeight: 433.47482

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO7S/c1-5-29-18-11-13(9-10-16(18)27-2)15(12-30(4,25)26)22-20(23)14-7-6-8-17(28-3)19(14)21(22)24/h6-11,15H,5,12H2,1-4H3