[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 5-bromanylpyridine-3-carboxylate

Systemtic Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 5-bromanylpyridine-3-carboxylate Openeye Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [5-(dimethylsulfamoyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl ester Formula: C19H21BrN4O4S MolecularWeight: 481.36344

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C19H21BrN4O4S/c1-4-7-24-17-6-5-15(29(26,27)23(2)3)9-16(17)22-18(24)12-28-19(25)13-8-14(20)11-21-10-13/h5-6,8-11H,4,7,12H2,1-3H3