N-(2-bromanylprop-2-enyl)-N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-1-methyl-imidazole-4-sulfonamide

Systemtic Name: N-(2-bromanylprop-2-enyl)-N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-1-methyl-imidazole-4-sulfonamide Openeye Name: N-(2-bromoallyl)-N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-1-methyl-imidazole-4-sulfonamide CAS Name: N-(2-bromoprop-2-enyl)-N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-1-methyl-4-imidazolesulfonamide IUPAC Name: N-(2-bromoprop-2-enyl)-N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-1-methylimidazole-4-sulfonamide Traditional Name: N-(2-bromoallyl)-N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-1-methyl-imidazole-4-sulfonamide Formula: C21H22BrN7O2S MolecularWeight: 516.41408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)S(=O)(=O)N(CC(=C)Br)C2CC3=C(C=CC(=C3)C#N)N(C2)CC4=CN=CN4

Isomeric SMILES

CN1C=C(N=C1)S(=O)(=O)N(CC(=C)Br)C2CC3=C(C=CC(=C3)C#N)N(C2)CC4=CN=CN4

InChI

InChI=1S/C21H22BrN7O2S/c1-15(22)9-29(32(30,31)21-12-27(2)14-26-21)19-6-17-5-16(7-23)3-4-20(17)28(11-19)10-18-8-24-13-25-18/h3-5,8,12-14,19H,1,6,9-11H2,2H3,(H,24,25)