4-[6-bromanyl-5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(4-methylphenyl)benzenesulfonamide

Systemtic Name: 4-[6-bromanyl-5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(4-methylphenyl)benzenesulfonamide Openeye Name: 4-(6-bromo-5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)-N-(p-tolyl)benzenesulfonamide CAS Name: 4-(6-bromo-5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)-N-(4-methylphenyl)benzenesulfonamide IUPAC Name: 4-(6-bromo-5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylphenyl)benzenesulfonamide Traditional Name: 4-(6-bromo-1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)-N-(p-tolyl)benzenesulfonamide Formula: C25H16BrN3O6S MolecularWeight: 566.38004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC5=C4C(=CC(=C5Br)[N+](=O)[O-])C3=O

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC5=C4C(=CC(=C5Br)[N+](=O)[O-])C3=O

InChI

InChI=1S/C25H16BrN3O6S/c1-14-5-7-15(8-6-14)27-36(34,35)17-11-9-16(10-12-17)28-24(30)19-4-2-3-18-22(19)20(25(28)31)13-21(23(18)26)29(32)33/h2-13,27H,1H3