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

Systemtic Name: 2-(3,4-dichlorophenyl)-5-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-(3,4-dichlorophenyl)isoindoline-1,3-dione CAS Name: 5-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]-2-(3,4-dichlorophenyl)isoindole-1,3-dione IUPAC Name: 5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-(3,4-dichlorophenyl)isoindole-1,3-dione Traditional Name: 5-(4-besylpiperazine-1-carbonyl)-2-(3,4-dichlorophenyl)isoindoline-1,3-quinone Formula: C25H19Cl2N3O5S MolecularWeight: 544.40646

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)Cl)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)Cl)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H19Cl2N3O5S/c26-21-9-7-17(15-22(21)27)30-24(32)19-8-6-16(14-20(19)25(30)33)23(31)28-10-12-29(13-11-28)36(34,35)18-4-2-1-3-5-18/h1-9,14-15H,10-13H2