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

Systemtic Name: 4-[4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[2-(1,3-dioxoisoindolin-2-yl)ethyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[2-(1,3-dioxo-2-isoindolyl)ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(2-phthalimidoethyl)piperazino]sulfonylbenzonitrile Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1CCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H20N4O4S/c22-15-16-5-7-17(8-6-16)30(28,29)24-12-9-23(10-13-24)11-14-25-20(26)18-3-1-2-4-19(18)21(25)27/h1-8H,9-14H2