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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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