4-[4-[(6-fluoranylquinolin-8-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(6-fluoranylquinolin-8-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[(6-fluoro-8-quinolyl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(6-fluoro-8-quinolinyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[(6-fluoro-8-quinolyl)methyl]piperazino]sulfonylbenzonitrile Formula: C21H19FN4O2S MolecularWeight: 410.464563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C3C(=CC(=C2)F)C=CC=N3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1CC2=C3C(=CC(=C2)F)C=CC=N3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H19FN4O2S/c22-19-12-17-2-1-7-24-21(17)18(13-19)15-25-8-10-26(11-9-25)29(27,28)20-5-3-16(14-23)4-6-20/h1-7,12-13H,8-11,15H2