6-[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-2-methyl-pyridazin-3-one

Systemtic Name: 6-[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-2-methyl-pyridazin-3-one Openeye Name: 6-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-2-methyl-pyridazin-3-one CAS Name: 6-[[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-oxomethyl]-2-methyl-3-pyridazinone IUPAC Name: 6-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one Traditional Name: 6-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-2-methyl-pyridazin-3-one Formula: C17H16ClF3N4O4S MolecularWeight: 464.84655

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CN1C(=O)C=CC(=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C17H16ClF3N4O4S/c1-23-15(26)5-4-13(22-23)16(27)24-6-8-25(9-7-24)30(28,29)14-10-11(17(19,20)21)2-3-12(14)18/h2-5,10H,6-9H2,1H3