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

Systemtic Name: 2-(2-methylphenyl)-5-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-(o-tolyl)isoindoline-1,3-dione CAS Name: 5-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]-2-(2-methylphenyl)isoindole-1,3-dione IUPAC Name: 5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-(2-methylphenyl)isoindole-1,3-dione Traditional Name: 5-(4-besylpiperazine-1-carbonyl)-2-(o-tolyl)isoindoline-1,3-quinone Formula: C26H23N3O5S MolecularWeight: 489.54292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H23N3O5S/c1-18-7-5-6-10-23(18)29-25(31)21-12-11-19(17-22(21)26(29)32)24(30)27-13-15-28(16-14-27)35(33,34)20-8-3-2-4-9-20/h2-12,17H,13-16H2,1H3