[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 6-methylpyridine-3-carboxylate

Systemtic Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 6-methylpyridine-3-carboxylate Openeye Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 6-methylpyridine-3-carboxylate CAS Name: 6-methyl-3-pyridinecarboxylic acid [5-(dimethylsulfamoyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 6-methylpyridine-3-carboxylate Traditional Name: 6-methylnicotinic acid [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl ester Formula: C20H24N4O4S MolecularWeight: 416.49396

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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=CN=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4S/c1-5-10-24-18-9-8-16(29(26,27)23(3)4)11-17(18)22-19(24)13-28-20(25)15-7-6-14(2)21-12-15/h6-9,11-12H,5,10,13H2,1-4H3