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

Systemtic Name: 5-(4-methylsulfonylphenyl)-4-piperidin-1-yl-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one Openeye Name: 5-(4-methylsulfonylphenyl)-4-(1-piperidyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one CAS Name: 5-(4-methylsulfonylphenyl)-4-(1-piperidinyl)-2-(2,2,2-trifluoroethyl)-3-pyridazinone IUPAC Name: 5-(4-methylsulfonylphenyl)-4-piperidin-1-yl-2-(2,2,2-trifluoroethyl)pyridazin-3-one Traditional Name: 5-(4-mesylphenyl)-4-piperidino-2-(2,2,2-trifluoroethyl)pyridazin-3-one Formula: C18H20F3N3O3S MolecularWeight: 415.42991

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC(F)(F)F)N3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC(F)(F)F)N3CCCCC3

InChI

InChI=1S/C18H20F3N3O3S/c1-28(26,27)14-7-5-13(6-8-14)15-11-22-24(12-18(19,20)21)17(25)16(15)23-9-3-2-4-10-23/h5-8,11H,2-4,9-10,12H2,1H3