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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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