5-(4-methylsulfonylphenyl)-4-(1-piperidin-1-ylethoxy)-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one

Systemtic Name: 5-(4-methylsulfonylphenyl)-4-(1-piperidin-1-ylethoxy)-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one Openeye Name: 5-(4-methylsulfonylphenyl)-4-[1-(1-piperidyl)ethoxy]-2-(2,2,2-trifluoroethyl)pyridazin-3-one CAS Name: 5-(4-methylsulfonylphenyl)-4-[1-(1-piperidinyl)ethoxy]-2-(2,2,2-trifluoroethyl)-3-pyridazinone IUPAC Name: 5-(4-methylsulfonylphenyl)-4-(1-piperidin-1-ylethoxy)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Traditional Name: 5-(4-mesylphenyl)-4-(1-piperidinoethoxy)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Formula: C20H24F3N3O4S MolecularWeight: 459.48247

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCCCC1)OC2=C(C=NN(C2=O)CC(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(N1CCCCC1)OC2=C(C=NN(C2=O)CC(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H24F3N3O4S/c1-14(25-10-4-3-5-11-25)30-18-17(12-24-26(19(18)27)13-20(21,22)23)15-6-8-16(9-7-15)31(2,28)29/h6-9,12,14H,3-5,10-11,13H2,1-2H3