4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-2-methyl-phthalazin-1-one

Systemtic Name: 4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-2-methyl-phthalazin-1-one Openeye Name: 4-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-phthalazin-1-one Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O4S/c1-15-8-9-17(14-16(15)2)31(29,30)26-12-10-25(11-13-26)22(28)20-18-6-4-5-7-19(18)21(27)24(3)23-20/h4-9,14H,10-13H2,1-3H3