N-[3-[(3-cyano-6-ethoxy-quinolin-2-yl)amino]propyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[3-[(3-cyano-6-ethoxy-quinolin-2-yl)amino]propyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[3-[(3-cyano-6-ethoxy-2-quinolyl)amino]propyl]-4-fluoro-benzenesulfonamide CAS Name: N-[3-[(3-cyano-6-ethoxy-2-quinolinyl)amino]propyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[3-[(3-cyano-6-ethoxyquinolin-2-yl)amino]propyl]-4-fluorobenzenesulfonamide Traditional Name: N-[3-[(3-cyano-6-ethoxy-2-quinolyl)amino]propyl]-4-fluoro-benzenesulfonamide Formula: C21H21FN4O3S MolecularWeight: 428.479843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)NCCCNS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)NCCCNS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN4O3S/c1-2-29-18-6-9-20-15(13-18)12-16(14-23)21(26-20)24-10-3-11-25-30(27,28)19-7-4-17(22)5-8-19/h4-9,12-13,25H,2-3,10-11H2,1H3,(H,24,26)