4-[(3-bromanyl-5-nitro-2-oxidanyl-phenyl)methylamino]-N-(6-methoxypyridazin-3-yl)benzenesulfonamide

Systemtic Name: 4-[(3-bromanyl-5-nitro-2-oxidanyl-phenyl)methylamino]-N-(6-methoxypyridazin-3-yl)benzenesulfonamide Openeye Name: 4-[(3-bromo-2-hydroxy-5-nitro-phenyl)methylamino]-N-(6-methoxypyridazin-3-yl)benzenesulfonamide CAS Name: 4-[(3-bromo-2-hydroxy-5-nitrophenyl)methylamino]-N-(6-methoxy-3-pyridazinyl)benzenesulfonamide IUPAC Name: 4-[(3-bromo-2-hydroxy-5-nitrophenyl)methylamino]-N-(6-methoxypyridazin-3-yl)benzenesulfonamide Traditional Name: 4-[(3-bromo-2-hydroxy-5-nitro-benzyl)amino]-N-(6-methoxypyridazin-3-yl)benzenesulfonamide Formula: C18H16BrN5O6S MolecularWeight: 510.31854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=CC(=CC(=C3O)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=CC(=CC(=C3O)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H16BrN5O6S/c1-30-17-7-6-16(21-22-17)23-31(28,29)14-4-2-12(3-5-14)20-10-11-8-13(24(26)27)9-15(19)18(11)25/h2-9,20,25H,10H2,1H3,(H,21,23)