4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]carbonyl-2-methyl-phthalazin-1-one

Systemtic Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]carbonyl-2-methyl-phthalazin-1-one Openeye Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbonyl]-2-methyl-phthalazin-1-one Formula: C22H22N4O6S MolecularWeight: 470.49828

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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=CC5=C(C=C4)OCCO5

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H22N4O6S/c1-24-21(27)17-5-3-2-4-16(17)20(23-24)22(28)25-8-10-26(11-9-25)33(29,30)15-6-7-18-19(14-15)32-13-12-31-18/h2-7,14H,8-13H2,1H3