2-methyl-4-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-methyl-4-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-(4-besylpiperazine-1-carbonyl)-2-methyl-phthalazin-1-one Formula: C20H20N4O4S MolecularWeight: 412.4622

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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=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4S/c1-22-19(25)17-10-6-5-9-16(17)18(21-22)20(26)23-11-13-24(14-12-23)29(27,28)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3