[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 2-chloranylpyridine-4-carboxylate

Systemtic Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 2-chloranylpyridine-4-carboxylate Openeye Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [5-(dimethylsulfamoyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl ester Formula: C19H21ClN4O4S MolecularWeight: 436.91244

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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(=NC=C3)Cl

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)C3=CC(=NC=C3)Cl

InChI

InChI=1S/C19H21ClN4O4S/c1-4-9-24-16-6-5-14(29(26,27)23(2)3)11-15(16)22-18(24)12-28-19(25)13-7-8-21-17(20)10-13/h5-8,10-11H,4,9,12H2,1-3H3