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

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]phthalazin-1-one Openeye Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]phthalazin-1-one CAS Name: 2-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-1-phthalazinone IUPAC Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one Traditional Name: 2-[2-(4-besylpiperazino)-2-keto-ethyl]phthalazin-1-one Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C=N2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C=N2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H20N4O4S/c25-19(15-24-20(26)18-9-5-4-6-16(18)14-21-24)22-10-12-23(13-11-22)29(27,28)17-7-2-1-3-8-17/h1-9,14H,10-13,15H2