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

Systemtic Name: 2-[(1S)-1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-4-(2-oxidanylidenepropyl)isoindole-1,3-dione Openeye Name: 4-acetonyl-2-[(1S)-1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]isoindoline-1,3-dione CAS Name: 2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-4-(2-oxopropyl)isoindole-1,3-dione IUPAC Name: 2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-4-(2-oxopropyl)isoindole-1,3-dione Traditional Name: 4-acetonyl-2-[(1S)-1-(3-ethoxy-4-methoxy-phenyl)-2-mesyl-ethyl]isoindoline-1,3-quinone Formula: C23H25NO7S MolecularWeight: 459.5121

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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)CC(=O)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)CC(=O)C)OC

InChI

InChI=1S/C23H25NO7S/c1-5-31-20-12-15(9-10-19(20)30-3)18(13-32(4,28)29)24-22(26)17-8-6-7-16(11-14(2)25)21(17)23(24)27/h6-10,12,18H,5,11,13H2,1-4H3/t18-/m1/s1