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

Systemtic Name: N-[3-[(3-cyano-7,8-dimethyl-quinolin-2-yl)amino]propyl]-2-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[3-[(3-cyano-7,8-dimethyl-2-quinolyl)amino]propyl]-2-(trifluoromethyl)benzenesulfonamide CAS Name: N-[3-[(3-cyano-7,8-dimethyl-2-quinolinyl)amino]propyl]-2-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[3-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]propyl]-2-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[3-[(3-cyano-7,8-dimethyl-2-quinolyl)amino]propyl]-2-(trifluoromethyl)benzenesulfonamide Formula: C22H21F3N4O2S MolecularWeight: 462.48795

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=N2)NCCCNS(=O)(=O)C3=CC=CC=C3C(F)(F)F)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=N2)NCCCNS(=O)(=O)C3=CC=CC=C3C(F)(F)F)C#N)C

InChI

InChI=1S/C22H21F3N4O2S/c1-14-8-9-16-12-17(13-26)21(29-20(16)15(14)2)27-10-5-11-28-32(30,31)19-7-4-3-6-18(19)22(23,24)25/h3-4,6-9,12,28H,5,10-11H2,1-2H3,(H,27,29)