2-[[2-(2,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-(2,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-(2,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-(2,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-(2,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-(2,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-quinone Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCC3=CC=CC=C3C2CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCC3=CC=CC=C3C2CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H24N2O4S/c1-17-11-12-18(2)24(15-17)33(31,32)28-14-13-19-7-3-4-8-20(19)23(28)16-27-25(29)21-9-5-6-10-22(21)26(27)30/h3-12,15,23H,13-14,16H2,1-2H3