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

Systemtic Name: N-[2-[3-(4-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]ethyl]-4-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[2-[3-(4-methoxyphenyl)-6-oxo-pyridazin-1-yl]ethyl]-4-(trifluoromethyl)benzenesulfonamide CAS Name: N-[2-[3-(4-methoxyphenyl)-6-oxo-1-pyridazinyl]ethyl]-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[2-[6-keto-3-(4-methoxyphenyl)pyridazin-1-yl]ethyl]-4-(trifluoromethyl)benzenesulfonamide Formula: C20H18F3N3O4S MolecularWeight: 453.43483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCNS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCNS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H18F3N3O4S/c1-30-16-6-2-14(3-7-16)18-10-11-19(27)26(25-18)13-12-24-31(28,29)17-8-4-15(5-9-17)20(21,22)23/h2-11,24H,12-13H2,1H3