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

Systemtic Name: 2-(phenylmethyl)-4-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-benzyl-phthalazin-1-one CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-benzylphthalazin-1-one Traditional Name: 2-benzyl-4-(4-besylpiperazine-1-carbonyl)phthalazin-1-one Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H24N4O4S/c31-25-23-14-8-7-13-22(23)24(27-30(25)19-20-9-3-1-4-10-20)26(32)28-15-17-29(18-16-28)35(33,34)21-11-5-2-6-12-21/h1-14H,15-19H2