6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-6-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one CAS Name: 6-[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-6-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one Traditional Name: 2-benzyl-6-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one Formula: C22H21FN4O4S MolecularWeight: 456.489943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN4O4S/c23-18-6-8-19(9-7-18)32(30,31)26-14-12-25(13-15-26)22(29)20-10-11-21(28)27(24-20)16-17-4-2-1-3-5-17/h1-11H,12-16H2