2-nitro-N-[3-(6-oxidanylidenepyridazin-1-yl)propyl]benzenesulfonamide

Systemtic Name: 2-nitro-N-[3-(6-oxidanylidenepyridazin-1-yl)propyl]benzenesulfonamide Openeye Name: 2-nitro-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide CAS Name: 2-nitro-N-[3-(6-oxo-1-pyridazinyl)propyl]benzenesulfonamide IUPAC Name: 2-nitro-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide Traditional Name: N-[3-(6-ketopyridazin-1-yl)propyl]-2-nitro-benzenesulfonamide Formula: C13H14N4O5S MolecularWeight: 338.33906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCCCN2C(=O)C=CC=N2

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCCCN2C(=O)C=CC=N2

InChI

InChI=1S/C13H14N4O5S/c18-13-7-3-8-14-16(13)10-4-9-15-23(21,22)12-6-2-1-5-11(12)17(19)20/h1-3,5-8,15H,4,9-10H2