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

Systemtic Name: 4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-(4-benzylsulfonylpiperazine-1-carbonyl)-2H-phthalazin-1-one CAS Name: 4-[oxo-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-(4-benzylsulfonylpiperazine-1-carbonyl)-2H-phthalazin-1-one Traditional Name: 4-(4-benzylsulfonylpiperazine-1-carbonyl)-2H-phthalazin-1-one Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H20N4O4S/c25-19-17-9-5-4-8-16(17)18(21-22-19)20(26)23-10-12-24(13-11-23)29(27,28)14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,22,25)