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

Systemtic Name: 2-methyl-6-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-pyridazin-3-one Openeye Name: 2-methyl-6-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]pyridazin-3-one CAS Name: 2-methyl-6-[oxo-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]-3-pyridazinone IUPAC Name: 2-methyl-6-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]pyridazin-3-one Traditional Name: 2-methyl-6-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]pyridazin-3-one Formula: C17H17F3N4O4S MolecularWeight: 430.40149

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17F3N4O4S/c1-22-15(25)6-5-14(21-22)16(26)23-7-9-24(10-8-23)29(27,28)13-4-2-3-12(11-13)17(18,19)20/h2-6,11H,7-10H2,1H3