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

Systemtic Name: 4-[4-(5-chloranyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-(5-chloro-2-methoxy-phenyl)sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-(5-chloro-2-methoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(5-chloro-2-methoxy-phenyl)sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one Formula: C20H19ClN4O5S MolecularWeight: 462.90666

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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)C4=CC=CC=C43

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H19ClN4O5S/c1-30-16-7-6-13(21)12-17(16)31(28,29)25-10-8-24(9-11-25)20(27)18-14-4-2-3-5-15(14)19(26)23-22-18/h2-7,12H,8-11H2,1H3,(H,23,26)