N-[2-[(3-cyano-8-methyl-quinolin-2-yl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[2-[(3-cyano-8-methyl-quinolin-2-yl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[2-[(3-cyano-8-methyl-2-quinolyl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[2-[(3-cyano-8-methyl-2-quinolinyl)amino]ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[2-[(3-cyano-8-methyl-2-quinolyl)amino]ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C(=C2)C#N)NCCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=CC2=C1N=C(C(=C2)C#N)NCCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H20N4O4S/c1-14-3-2-4-15-11-16(13-22)21(25-20(14)15)23-7-8-24-30(26,27)17-5-6-18-19(12-17)29-10-9-28-18/h2-6,11-12,24H,7-10H2,1H3,(H,23,25)