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

Systemtic Name: 2-(2-methylpropyl)-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-isobutyl-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]phthalazin-1-one CAS Name: 2-(2-methylpropyl)-4-[oxo-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-(2-methylpropyl)-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-isobutyl-4-(4-mesitylsulfonylpiperazine-1-carbonyl)phthalazin-1-one Formula: C26H32N4O4S MolecularWeight: 496.62168

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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)CC(C)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)CC(C)C)C

InChI

InChI=1S/C26H32N4O4S/c1-17(2)16-30-25(31)22-9-7-6-8-21(22)23(27-30)26(32)28-10-12-29(13-11-28)35(33,34)24-19(4)14-18(3)15-20(24)5/h6-9,14-15,17H,10-13,16H2,1-5H3