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

Systemtic Name: 2-[(4-methylsulfonylpiperazin-1-yl)methyl]phthalazin-1-one Openeye Name: 2-[(4-methylsulfonylpiperazin-1-yl)methyl]phthalazin-1-one CAS Name: 2-[(4-methylsulfonyl-1-piperazinyl)methyl]-1-phthalazinone IUPAC Name: 2-[(4-methylsulfonylpiperazin-1-yl)methyl]phthalazin-1-one Traditional Name: 2-[(4-mesylpiperazino)methyl]phthalazin-1-one Formula: C14H18N4O3S MolecularWeight: 322.38272

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CN2C(=O)C3=CC=CC=C3C=N2

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CN2C(=O)C3=CC=CC=C3C=N2

InChI

InChI=1S/C14H18N4O3S/c1-22(20,21)17-8-6-16(7-9-17)11-18-14(19)13-5-3-2-4-12(13)10-15-18/h2-5,10H,6-9,11H2,1H3