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

Systemtic Name: 2-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[(4-besylpiperazino)methyl]phthalazin-1-one Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C=N2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C=N2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H20N4O3S/c24-19-18-9-5-4-6-16(18)14-20-23(19)15-21-10-12-22(13-11-21)27(25,26)17-7-2-1-3-8-17/h1-9,14H,10-13,15H2