4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]carbonyl-2-methyl-phthalazin-1-one

Systemtic Name: 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]carbonyl-2-methyl-phthalazin-1-one Openeye Name: 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-phthalazin-1-one Formula: C22H24N4O6S MolecularWeight: 472.51416

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C22H24N4O6S/c1-24-21(27)17-7-5-4-6-16(17)20(23-24)22(28)25-10-12-26(13-11-25)33(29,30)19-14-15(31-2)8-9-18(19)32-3/h4-9,14H,10-13H2,1-3H3