N-[2-[3-(4-fluorophenyl)-6-oxidanylidene-pyridazin-1-yl]ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-[3-(4-fluorophenyl)-6-oxidanylidene-pyridazin-1-yl]ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-[2-[3-(4-fluorophenyl)-6-oxo-pyridazin-1-yl]ethyl]-3-nitro-benzenesulfonamide CAS Name: N-[2-[3-(4-fluorophenyl)-6-oxo-1-pyridazinyl]ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-[3-(4-fluorophenyl)-6-keto-pyridazin-1-yl]ethyl]-3-nitro-benzenesulfonamide Formula: C18H15FN4O5S MolecularWeight: 418.398903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H15FN4O5S/c19-14-6-4-13(5-7-14)17-8-9-18(24)22(21-17)11-10-20-29(27,28)16-3-1-2-15(12-16)23(25)26/h1-9,12,20H,10-11H2