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

Systemtic Name: 4-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[oxo-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1-piperazinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O4S/c1-14-15(2)17(4)22(18(5)16(14)3)33(31,32)28-12-10-27(11-13-28)24(30)21-19-8-6-7-9-20(19)23(29)26-25-21/h6-9H,10-13H2,1-5H3,(H,26,29)