2-methyl-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-methyl-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 4-[4-(4-isopropylphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 2-methyl-4-[oxo-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-methyl-4-(4-p-cumenylsulfonylpiperazine-1-carbonyl)phthalazin-1-one Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S/c1-16(2)17-8-10-18(11-9-17)32(30,31)27-14-12-26(13-15-27)23(29)21-19-6-4-5-7-20(19)22(28)25(3)24-21/h4-11,16H,12-15H2,1-3H3