2-[4-[(2-chloranylquinolin-3-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(2-chloranylquinolin-3-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(2-chloro-3-quinolyl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(2-chloro-3-quinolinyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(2-chloroquinolin-3-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(2-chloro-3-quinolyl)methyl]piperazino]sulfonylbenzonitrile Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=CC=CC=C3N=C2Cl)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1CC2=CC3=CC=CC=C3N=C2Cl)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H19ClN4O2S/c22-21-18(13-16-5-1-3-7-19(16)24-21)15-25-9-11-26(12-10-25)29(27,28)20-8-4-2-6-17(20)14-23/h1-8,13H,9-12,15H2