(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 6-chloranylpyridine-3-carboxylate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 6-chloranylpyridine-3-carboxylate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C18H19ClN4O4S MolecularWeight: 422.88586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C18H19ClN4O4S/c1-2-3-8-23-15-6-5-13(28(20,25)26)9-14(15)22-17(23)11-27-18(24)12-4-7-16(19)21-10-12/h4-7,9-10H,2-3,8,11H2,1H3,(H2,20,25,26)