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

Systemtic Name: 6-[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-2-propyl-pyridazin-3-one Openeye Name: 6-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-2-propyl-pyridazin-3-one CAS Name: 6-[[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-oxomethyl]-2-propyl-3-pyridazinone IUPAC Name: 6-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-2-propylpyridazin-3-one Traditional Name: 6-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-2-propyl-pyridazin-3-one Formula: C19H20ClF3N4O4S MolecularWeight: 492.89971

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C19H20ClF3N4O4S/c1-2-7-27-17(28)6-5-15(24-27)18(29)25-8-10-26(11-9-25)32(30,31)16-12-13(19(21,22)23)3-4-14(16)20/h3-6,12H,2,7-11H2,1H3