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

Systemtic Name: N-[2-[3-(4-ethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]ethyl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[2-[3-(4-ethoxyphenyl)-6-oxo-pyridazin-1-yl]ethyl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-[2-[3-(4-ethoxyphenyl)-6-oxo-1-pyridazinyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[2-(6-keto-3-p-phenetyl-pyridazin-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide Formula: C21H20F3N3O4S MolecularWeight: 467.46141

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCNS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCNS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O4S/c1-2-31-17-8-6-15(7-9-17)19-10-11-20(28)27(26-19)13-12-25-32(29,30)18-5-3-4-16(14-18)21(22,23)24/h3-11,14,25H,2,12-13H2,1H3