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

Systemtic Name: 3-[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-oxomethyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one Formula: C16H14ClF3N4O4S MolecularWeight: 450.81997

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClF3N4O4S/c17-11-2-1-10(16(18,19)20)9-13(11)29(27,28)24-7-5-23(6-8-24)15(26)12-3-4-14(25)22-21-12/h1-4,9H,5-8H2,(H,22,25)