4-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-(4-benzylsulfonylpiperazino)-2-keto-ethyl]-2H-phthalazin-1-one Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CC2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O4S/c26-20(14-19-17-8-4-5-9-18(17)21(27)23-22-19)24-10-12-25(13-11-24)30(28,29)15-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,23,27)