N-[2-[(3-cyano-6,7-dimethyl-quinolin-2-yl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[2-[(3-cyano-6,7-dimethyl-quinolin-2-yl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[2-[(3-cyano-6,7-dimethyl-2-quinolyl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[2-[(3-cyano-6,7-dimethyl-2-quinolinyl)amino]ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[2-[(3-cyano-6,7-dimethyl-2-quinolyl)amino]ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=N2)NCCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C#N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=N2)NCCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C#N)C

InChI

InChI=1S/C22H22N4O4S/c1-14-9-16-11-17(13-23)22(26-19(16)10-15(14)2)24-5-6-25-31(27,28)18-3-4-20-21(12-18)30-8-7-29-20/h3-4,9-12,25H,5-8H2,1-2H3,(H,24,26)