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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H16BrN3O6S/c26-23-18-7-4-8-19-22(18)20(13-21(23)29(32)33)25(31)28(24(19)30)16-9-11-17(12-10-16)36(34,35)27-14-15-5-2-1-3-6-15/h1-13,27H,14H2