4-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]phthalazin-1-one

Systemtic Name: 4-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]phthalazin-1-one Openeye Name: 4-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]phthalazin-1-one CAS Name: 4-methyl-2-[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]phthalazin-1-one Traditional Name: 2-[2-keto-2-(4-mesylpiperazino)ethyl]-4-methyl-phthalazin-1-one Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C16H20N4O4S/c1-12-13-5-3-4-6-14(13)16(22)20(17-12)11-15(21)18-7-9-19(10-8-18)25(2,23)24/h3-6H,7-11H2,1-2H3