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

Systemtic Name: 4-chloranyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-4-chloro-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one CAS Name: 4-chloro-5-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-4-chloro-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one Traditional Name: 2-benzyl-4-chloro-5-[4-(4-methoxyphenyl)sulfonylpiperazino]pyridazin-3-one Formula: C22H23ClN4O4S MolecularWeight: 474.96042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)CC4=CC=CC=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H23ClN4O4S/c1-31-18-7-9-19(10-8-18)32(29,30)26-13-11-25(12-14-26)20-15-24-27(22(28)21(20)23)16-17-5-3-2-4-6-17/h2-10,15H,11-14,16H2,1H3