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

Systemtic Name: 4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]phthalazin-1-one Openeye Name: 4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]phthalazin-1-one CAS Name: 4-methyl-2-[(4-methylsulfonyl-1-piperazinyl)methyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]phthalazin-1-one Traditional Name: 2-[(4-mesylpiperazino)methyl]-4-methyl-phthalazin-1-one Formula: C15H20N4O3S MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O3S/c1-12-13-5-3-4-6-14(13)15(20)19(16-12)11-17-7-9-18(10-8-17)23(2,21)22/h3-6H,7-11H2,1-2H3