2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-(4-besylpiperazino)-2-keto-ethyl]isoindoline-1,3-quinone Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3O5S/c24-18(14-23-19(25)16-8-4-5-9-17(16)20(23)26)21-10-12-22(13-11-21)29(27,28)15-6-2-1-3-7-15/h1-9H,10-14H2