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

Systemtic Name: 2-(2,5-dimethylphenyl)-5-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-(2,5-dimethylphenyl)isoindoline-1,3-dione CAS Name: 5-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]-2-(2,5-dimethylphenyl)isoindole-1,3-dione IUPAC Name: 5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-(2,5-dimethylphenyl)isoindole-1,3-dione Traditional Name: 5-(4-besylpiperazine-1-carbonyl)-2-(2,5-dimethylphenyl)isoindoline-1,3-quinone Formula: C27H25N3O5S MolecularWeight: 503.5695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O5S/c1-18-8-9-19(2)24(16-18)30-26(32)22-11-10-20(17-23(22)27(30)33)25(31)28-12-14-29(15-13-28)36(34,35)21-6-4-3-5-7-21/h3-11,16-17H,12-15H2,1-2H3