4-(4-methylsulfonylpiperazin-1-yl)carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-(4-methylsulfonylpiperazin-1-yl)carbonyl-2H-phthalazin-1-one Openeye Name: 4-(4-methylsulfonylpiperazine-1-carbonyl)-2H-phthalazin-1-one CAS Name: 4-[(4-methylsulfonyl-1-piperazinyl)-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-(4-methylsulfonylpiperazine-1-carbonyl)-2H-phthalazin-1-one Traditional Name: 4-(4-mesylpiperazine-1-carbonyl)-2H-phthalazin-1-one Formula: C14H16N4O4S MolecularWeight: 336.36624

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C14H16N4O4S/c1-23(21,22)18-8-6-17(7-9-18)14(20)12-10-4-2-3-5-11(10)13(19)16-15-12/h2-5H,6-9H2,1H3,(H,16,19)