2-[4-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-(1,3-dioxoisoindolin-2-yl)propyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[3-(1,3-dioxo-2-isoindolyl)propyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[3-(1,3-dioxoisoindol-2-yl)propyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(3-phthalimidopropyl)piperazino]sulfonylbenzonitrile Formula: C22H22N4O4S MolecularWeight: 438.49948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H22N4O4S/c23-16-17-6-1-4-9-20(17)31(29,30)25-14-12-24(13-15-25)10-5-11-26-21(27)18-7-2-3-8-19(18)22(26)28/h1-4,6-9H,5,10-15H2