4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[oxo-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43)C)C

InChI

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