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

Systemtic Name: 2-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-methyl-4-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 2-methyl-4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-methyl-4-(4-tosylpiperazine-1-carbonyl)phthalazin-1-one Formula: C21H22N4O4S MolecularWeight: 426.48878

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4S/c1-15-7-9-16(10-8-15)30(28,29)25-13-11-24(12-14-25)21(27)19-17-5-3-4-6-18(17)20(26)23(2)22-19/h3-10H,11-14H2,1-2H3