2-[4-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl]piperazino]sulfonylbenzonitrile Formula: C22H20N6O3S MolecularWeight: 448.4976

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)C(=C2NC3=CC=CC=C3N2)C#N)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1CC(=O)C(=C2NC3=CC=CC=C3N2)C#N)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H20N6O3S/c23-13-16-5-1-4-8-21(16)32(30,31)28-11-9-27(10-12-28)15-20(29)17(14-24)22-25-18-6-2-3-7-19(18)26-22/h1-8,25-26H,9-12,15H2