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

Systemtic Name: 4-chloranyl-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-4-chloro-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-one CAS Name: 4-chloro-5-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-4-chloro-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-one Traditional Name: 2-benzyl-4-chloro-5-[4-(2-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=C4F

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(N=C2)CC3=CC=CC=C3)Cl)S(=O)(=O)C4=CC=CC=C4F

InChI

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