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

Systemtic Name: 2-[4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(benzenesulfonyl)-1-piperazinyl]-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-(4-besylpiperazino)-4-keto-butyl]isoindoline-1,3-quinone Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O5S/c26-20(11-6-12-25-21(27)18-9-4-5-10-19(18)22(25)28)23-13-15-24(16-14-23)31(29,30)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2