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

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-chloranylpyridine-3-carboxylate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-chloropyridine-3-carboxylate Traditional Name: 2-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=C(N=CC=C3)Cl

Isomeric SMILES

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

InChI

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