N-[3-[(3-cyano-7,8-dimethyl-quinolin-2-yl)amino]propyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[3-[(3-cyano-7,8-dimethyl-quinolin-2-yl)amino]propyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[3-[(3-cyano-7,8-dimethyl-2-quinolyl)amino]propyl]-4-fluoro-benzenesulfonamide CAS Name: N-[3-[(3-cyano-7,8-dimethyl-2-quinolinyl)amino]propyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[3-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]propyl]-4-fluorobenzenesulfonamide Traditional Name: N-[3-[(3-cyano-7,8-dimethyl-2-quinolyl)amino]propyl]-4-fluoro-benzenesulfonamide Formula: C21H21FN4O2S MolecularWeight: 412.480443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=N2)NCCCNS(=O)(=O)C3=CC=C(C=C3)F)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=N2)NCCCNS(=O)(=O)C3=CC=C(C=C3)F)C#N)C

InChI

InChI=1S/C21H21FN4O2S/c1-14-4-5-16-12-17(13-23)21(26-20(16)15(14)2)24-10-3-11-25-29(27,28)19-8-6-18(22)7-9-19/h4-9,12,25H,3,10-11H2,1-2H3,(H,24,26)