N-[3-[(3-cyano-6,8-dimethyl-quinolin-2-yl)amino]propyl]-2-fluoranyl-benzenesulfonamide

Systemtic Name: N-[3-[(3-cyano-6,8-dimethyl-quinolin-2-yl)amino]propyl]-2-fluoranyl-benzenesulfonamide Openeye Name: N-[3-[(3-cyano-6,8-dimethyl-2-quinolyl)amino]propyl]-2-fluoro-benzenesulfonamide CAS Name: N-[3-[(3-cyano-6,8-dimethyl-2-quinolinyl)amino]propyl]-2-fluorobenzenesulfonamide IUPAC Name: N-[3-[(3-cyano-6,8-dimethylquinolin-2-yl)amino]propyl]-2-fluorobenzenesulfonamide Traditional Name: N-[3-[(3-cyano-6,8-dimethyl-2-quinolyl)amino]propyl]-2-fluoro-benzenesulfonamide Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=N2)NCCCNS(=O)(=O)C3=CC=CC=C3F)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=N2)NCCCNS(=O)(=O)C3=CC=CC=C3F)C#N)C

InChI

InChI=1S/C21H21FN4O2S/c1-14-10-15(2)20-16(11-14)12-17(13-23)21(26-20)24-8-5-9-25-29(27,28)19-7-4-3-6-18(19)22/h3-4,6-7,10-12,25H,5,8-9H2,1-2H3,(H,24,26)