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

Systemtic Name: 4-[4-[(2-chloranylquinolin-3-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[(2-chloro-3-quinolyl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(2-chloro-3-quinolinyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[(2-chloroquinolin-3-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[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=C(C=C4)C#N

Isomeric SMILES

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

InChI

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