2-[4-[2-(2-oxidanylidene-1H-quinolin-3-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(2-oxidanylidene-1H-quinolin-3-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-(2-oxo-1H-quinolin-3-yl)ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(2-keto-1H-quinolin-3-yl)acetyl]piperazino]sulfonylbenzonitrile Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=CC3=CC=CC=C3NC2=O)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CC2=CC3=CC=CC=C3NC2=O)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H20N4O4S/c23-15-17-6-2-4-8-20(17)31(29,30)26-11-9-25(10-12-26)21(27)14-18-13-16-5-1-3-7-19(16)24-22(18)28/h1-8,13H,9-12,14H2,(H,24,28)