N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[6-cyano-1-[(3-methyl-4-imidazolyl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]piazthiole-4-sulfonamide Formula: C21H19N7O2S2 MolecularWeight: 465.55126

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CN2CC(CC3=C2C=CC(=C3)C#N)NS(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

CN1C=NC=C1CN2CC(CC3=C2C=CC(=C3)C#N)NS(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C21H19N7O2S2/c1-27-13-23-10-17(27)12-28-11-16(8-15-7-14(9-22)5-6-19(15)28)26-32(29,30)20-4-2-3-18-21(20)25-31-24-18/h2-7,10,13,16,26H,8,11-12H2,1H3