2-[4-[2-(2-oxidanylidenepyridin-1-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(2-oxidanylidenepyridin-1-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(2-oxo-1-pyridyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-(2-oxo-1-pyridinyl)ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(2-oxopyridin-1-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(2-keto-1-pyridyl)acetyl]piperazino]sulfonylbenzonitrile Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C=CC=CC2=O)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)CN2C=CC=CC2=O)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H18N4O4S/c19-13-15-5-1-2-6-16(15)27(25,26)22-11-9-20(10-12-22)18(24)14-21-8-4-3-7-17(21)23/h1-8H,9-12,14H2