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

Systemtic Name: 2-[4-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[4-(1,3-dioxoisoindolin-2-yl)butanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4-phthalimidobutanoyl)piperazino]sulfonylbenzonitrile Formula: C23H22N4O5S MolecularWeight: 466.50958

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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=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H22N4O5S/c24-16-17-6-1-4-9-20(17)33(31,32)26-14-12-25(13-15-26)21(28)10-5-11-27-22(29)18-7-2-3-8-19(18)23(27)30/h1-4,6-9H,5,10-15H2