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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CC2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

InChI

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