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

Systemtic Name: 2-[[2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[(2-nosyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]isoindoline-1,3-quinone Formula: C24H19N3O6S MolecularWeight: 477.48916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H19N3O6S/c28-23-20-7-3-4-8-21(20)24(29)25(23)15-22-19-6-2-1-5-16(19)13-14-26(22)34(32,33)18-11-9-17(10-12-18)27(30)31/h1-12,22H,13-15H2