N-[2-[(3-cyano-5,7-dimethyl-quinolin-2-yl)amino]ethyl]-4-methoxy-benzenesulfonamide

Systemtic Name: N-[2-[(3-cyano-5,7-dimethyl-quinolin-2-yl)amino]ethyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[2-[(3-cyano-5,7-dimethyl-2-quinolyl)amino]ethyl]-4-methoxy-benzenesulfonamide CAS Name: N-[2-[(3-cyano-5,7-dimethyl-2-quinolinyl)amino]ethyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-4-methoxybenzenesulfonamide Traditional Name: N-[2-[(3-cyano-5,7-dimethyl-2-quinolyl)amino]ethyl]-4-methoxy-benzenesulfonamide Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=NC2=C1)NCCNS(=O)(=O)C3=CC=C(C=C3)OC)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)NCCNS(=O)(=O)C3=CC=C(C=C3)OC)C#N)C

InChI

InChI=1S/C21H22N4O3S/c1-14-10-15(2)19-12-16(13-22)21(25-20(19)11-14)23-8-9-24-29(26,27)18-6-4-17(28-3)5-7-18/h4-7,10-12,24H,8-9H2,1-3H3,(H,23,25)