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

Systemtic Name: 2-[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[(2-tosyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]isoindoline-1,3-quinone Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O4S/c1-17-10-12-19(13-11-17)32(30,31)27-15-14-18-6-2-3-7-20(18)23(27)16-26-24(28)21-8-4-5-9-22(21)25(26)29/h2-13,23H,14-16H2,1H3