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

Systemtic Name: N-[2-[3-(4-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]ethyl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[2-[3-(4-methoxyphenyl)-6-oxo-pyridazin-1-yl]ethyl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-[2-[3-(4-methoxyphenyl)-6-oxo-1-pyridazinyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[2-[6-keto-3-(4-methoxyphenyl)pyridazin-1-yl]ethyl]-3-(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=CC(=C3)C(F)(F)F

Isomeric SMILES

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

InChI

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