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

Systemtic Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]benzo[e]isoindole-1,3-dione Openeye Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]benzo[e]isoindole-1,3-dione CAS Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]benzo[e]isoindole-1,3-dione IUPAC Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]benzo[e]isoindole-1,3-dione Traditional Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-2-mesyl-ethyl]benz[e]isoindole-1,3-quinone Formula: C24H23NO6S MolecularWeight: 453.50752

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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)C4=CC=CC=C4C=C3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C4=CC=CC=C4C=C3)OC

InChI

InChI=1S/C24H23NO6S/c1-4-31-21-13-16(10-12-20(21)30-2)19(14-32(3,28)29)25-23(26)18-11-9-15-7-5-6-8-17(15)22(18)24(25)27/h5-13,19H,4,14H2,1-3H3