2-methyl-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-methyl-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-methyl-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]phthalazin-1-one CAS Name: 2-methyl-4-[oxo-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]phthalazin-1-one Traditional Name: 4-(4-mesitylsulfonylpiperazine-1-carbonyl)-2-methyl-phthalazin-1-one Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S/c1-15-13-16(2)21(17(3)14-15)32(30,31)27-11-9-26(10-12-27)23(29)20-18-7-5-6-8-19(18)22(28)25(4)24-20/h5-8,13-14H,9-12H2,1-4H3