2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]phthalazin-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)CN2C(=O)C3=CC=CC=C3C=N2

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)CN2C(=O)C3=CC=CC=C3C=N2

InChI

InChI=1S/C15H20N4O3S/c1-23(21,22)18-8-4-7-17(9-10-18)12-19-15(20)14-6-3-2-5-13(14)11-16-19/h2-3,5-6,11H,4,7-10,12H2,1H3