3-nitro-N-[2-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)ethyl]benzenesulfonamide

Systemtic Name: 3-nitro-N-[2-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)ethyl]benzenesulfonamide Openeye Name: 3-nitro-N-[2-(6-oxo-3-phenyl-pyridazin-1-yl)ethyl]benzenesulfonamide CAS Name: 3-nitro-N-[2-(6-oxo-3-phenyl-1-pyridazinyl)ethyl]benzenesulfonamide IUPAC Name: 3-nitro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide Traditional Name: N-[2-(6-keto-3-phenyl-pyridazin-1-yl)ethyl]-3-nitro-benzenesulfonamide Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5S/c23-18-10-9-17(14-5-2-1-3-6-14)20-21(18)12-11-19-28(26,27)16-8-4-7-15(13-16)22(24)25/h1-10,13,19H,11-12H2