4-chloranyl-5-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-4-chloro-5-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-one CAS Name: 4-chloro-5-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-4-chloro-5-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-one Traditional Name: 2-benzyl-4-chloro-5-[4-(3-fluorophenyl)sulfonylpiperazino]pyridazin-3-one Formula: C21H20ClFN4O3S MolecularWeight: 462.924903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(N=C2)CC3=CC=CC=C3)Cl)S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(N=C2)CC3=CC=CC=C3)Cl)S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C21H20ClFN4O3S/c22-20-19(14-24-27(21(20)28)15-16-5-2-1-3-6-16)25-9-11-26(12-10-25)31(29,30)18-8-4-7-17(23)13-18/h1-8,13-14H,9-12,15H2