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

Systemtic Name: 6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]carbonyl-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-6-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one CAS Name: 6-[[4-(3-chlorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-6-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one Traditional Name: 2-benzyl-6-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one Formula: C22H21ClN4O4S MolecularWeight: 472.94454

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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(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O4S/c23-18-7-4-8-19(15-18)32(30,31)26-13-11-25(12-14-26)22(29)20-9-10-21(28)27(24-20)16-17-5-2-1-3-6-17/h1-10,15H,11-14,16H2