N-[3-[(3-cyano-8-methyl-quinolin-2-yl)amino]propyl]-3-fluoranyl-benzenesulfonamide

Systemtic Name: N-[3-[(3-cyano-8-methyl-quinolin-2-yl)amino]propyl]-3-fluoranyl-benzenesulfonamide Openeye Name: N-[3-[(3-cyano-8-methyl-2-quinolyl)amino]propyl]-3-fluoro-benzenesulfonamide CAS Name: N-[3-[(3-cyano-8-methyl-2-quinolinyl)amino]propyl]-3-fluorobenzenesulfonamide IUPAC Name: N-[3-[(3-cyano-8-methylquinolin-2-yl)amino]propyl]-3-fluorobenzenesulfonamide Traditional Name: N-[3-[(3-cyano-8-methyl-2-quinolyl)amino]propyl]-3-fluoro-benzenesulfonamide Formula: C20H19FN4O2S MolecularWeight: 398.453863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C(=C2)C#N)NCCCNS(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CC1=CC=CC2=C1N=C(C(=C2)C#N)NCCCNS(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C20H19FN4O2S/c1-14-5-2-6-15-11-16(13-22)20(25-19(14)15)23-9-4-10-24-28(26,27)18-8-3-7-17(21)12-18/h2-3,5-8,11-12,24H,4,9-10H2,1H3,(H,23,25)