N-[3-[3-(4-fluorophenyl)-6-oxidanylidene-pyridazin-1-yl]propyl]-2,5-dimethoxy-benzenesulfonamide

Systemtic Name: N-[3-[3-(4-fluorophenyl)-6-oxidanylidene-pyridazin-1-yl]propyl]-2,5-dimethoxy-benzenesulfonamide Openeye Name: N-[3-[3-(4-fluorophenyl)-6-oxo-pyridazin-1-yl]propyl]-2,5-dimethoxy-benzenesulfonamide CAS Name: N-[3-[3-(4-fluorophenyl)-6-oxo-1-pyridazinyl]propyl]-2,5-dimethoxybenzenesulfonamide IUPAC Name: N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]-2,5-dimethoxybenzenesulfonamide Traditional Name: N-[3-[3-(4-fluorophenyl)-6-keto-pyridazin-1-yl]propyl]-2,5-dimethoxy-benzenesulfonamide Formula: C21H22FN3O5S MolecularWeight: 447.479883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)NCCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)NCCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O5S/c1-29-17-8-10-19(30-2)20(14-17)31(27,28)23-12-3-13-25-21(26)11-9-18(24-25)15-4-6-16(22)7-5-15/h4-11,14,23H,3,12-13H2,1-2H3