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

Systemtic Name: 2-[[2-(4-methyl-3-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-(4-methyl-3-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-(4-methyl-3-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-(4-methyl-3-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-(4-methyl-3-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-quinone Formula: C25H21N3O6S MolecularWeight: 491.51574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CN4C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CN4C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O6S/c1-16-10-11-18(14-22(16)28(31)32)35(33,34)27-13-12-17-6-2-3-7-19(17)23(27)15-26-24(29)20-8-4-5-9-21(20)25(26)30/h2-11,14,23H,12-13,15H2,1H3