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

Systemtic Name: 3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[oxo-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one Formula: C16H15F3N4O4S MolecularWeight: 416.37491

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NNC(=O)C=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=NNC(=O)C=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C16H15F3N4O4S/c17-16(18,19)11-2-1-3-12(10-11)28(26,27)23-8-6-22(7-9-23)15(25)13-4-5-14(24)21-20-13/h1-5,10H,6-9H2,(H,21,24)