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

Systemtic Name: 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-(4-tosylpiperazine-1-carbonyl)phthalazin-1-one Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O4S/c1-20-11-13-22(14-12-20)36(34,35)30-17-15-29(16-18-30)27(33)25-23-9-5-6-10-24(23)26(32)31(28-25)19-21-7-3-2-4-8-21/h2-14H,15-19H2,1H3