2-[[2-(4-ethanoylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-(4-ethanoylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-(4-acetylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-(4-acetylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-(4-acetylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-(4-acetylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-quinone Formula: C26H22N2O5S MolecularWeight: 474.52828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H22N2O5S/c1-17(29)18-10-12-20(13-11-18)34(32,33)28-15-14-19-6-2-3-7-21(19)24(28)16-27-25(30)22-8-4-5-9-23(22)26(27)31/h2-13,24H,14-16H2,1H3