2-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methyl-phthalazin-1-one CAS Name: 2-[[4-(3,4-dichlorophenyl)sulfonyl-1-piperazinyl]methyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methylphthalazin-1-one Traditional Name: 2-[[4-(3,4-dichlorophenyl)sulfonylpiperazino]methyl]-4-methyl-phthalazin-1-one Formula: C20H20Cl2N4O3S MolecularWeight: 467.3688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CN3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CN3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H20Cl2N4O3S/c1-14-16-4-2-3-5-17(16)20(27)26(23-14)13-24-8-10-25(11-9-24)30(28,29)15-6-7-18(21)19(22)12-15/h2-7,12H,8-11,13H2,1H3