4-(6-fluoranyl-3-pyrrolidin-1-ylcarbonyl-quinolin-4-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 4-(6-fluoranyl-3-pyrrolidin-1-ylcarbonyl-quinolin-4-yl)sulfonylbenzenecarbonitrile Openeye Name: 4-[[6-fluoro-3-(pyrrolidine-1-carbonyl)-4-quinolyl]sulfonyl]benzonitrile CAS Name: 4-[[6-fluoro-3-[oxo(1-pyrrolidinyl)methyl]-4-quinolinyl]sulfonyl]benzonitrile IUPAC Name: 4-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]sulfonylbenzonitrile Traditional Name: 4-[[6-fluoro-3-(pyrrolidine-1-carbonyl)-4-quinolyl]sulfonyl]benzonitrile Formula: C21H16FN3O3S MolecularWeight: 409.433443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CN=C3C=CC(=CC3=C2S(=O)(=O)C4=CC=C(C=C4)C#N)F

Isomeric SMILES

C1CCN(C1)C(=O)C2=CN=C3C=CC(=CC3=C2S(=O)(=O)C4=CC=C(C=C4)C#N)F

InChI

InChI=1S/C21H16FN3O3S/c22-15-5-8-19-17(11-15)20(18(13-24-19)21(26)25-9-1-2-10-25)29(27,28)16-6-3-14(12-23)4-7-16/h3-8,11,13H,1-2,9-10H2