3-[4-(5-chloranyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyridazin-6-one

Systemtic Name: 3-[4-(5-chloranyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[4-(5-chloro-2-methoxy-phenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[[4-(5-chloro-2-methoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-[4-(5-chloro-2-methoxy-phenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one Formula: C16H17ClN4O5S MolecularWeight: 412.84798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=O)C=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=O)C=C3

InChI

InChI=1S/C16H17ClN4O5S/c1-26-13-4-2-11(17)10-14(13)27(24,25)21-8-6-20(7-9-21)16(23)12-3-5-15(22)19-18-12/h2-5,10H,6-9H2,1H3,(H,19,22)