2-(2,5-dimethylphenyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(2,5-dimethylphenyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-(2,5-dimethylphenyl)-5-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-(2,5-dimethylphenyl)-5-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-(2,5-dimethylphenyl)-5-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-(2,5-dimethylphenyl)-5-(4-tosylpiperazine-1-carbonyl)isoindoline-1,3-quinone Formula: C28H27N3O5S MolecularWeight: 517.59608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=C(C=CC(=C5)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=C(C=CC(=C5)C)C

InChI

InChI=1S/C28H27N3O5S/c1-18-5-9-22(10-6-18)37(35,36)30-14-12-29(13-15-30)26(32)21-8-11-23-24(17-21)28(34)31(27(23)33)25-16-19(2)4-7-20(25)3/h4-11,16-17H,12-15H2,1-3H3