(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-(1,2,3,4-tetrazol-1-yl)thiophene-2-carboxylate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-(1,2,3,4-tetrazol-1-yl)thiophene-2-carboxylate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-(tetrazol-1-yl)thiophene-2-carboxylate CAS Name: 3-(1-tetrazolyl)-2-thiophenecarboxylic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-(tetrazol-1-yl)thiophene-2-carboxylate Traditional Name: 3-(tetrazol-1-yl)thiophene-2-carboxylic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C18H19N7O4S2 MolecularWeight: 461.51796

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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(C=CS3)N4C=NN=N4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=C(C=CS3)N4C=NN=N4

InChI

InChI=1S/C18H19N7O4S2/c1-2-3-7-24-14-5-4-12(31(19,27)28)9-13(14)21-16(24)10-29-18(26)17-15(6-8-30-17)25-11-20-22-23-25/h4-6,8-9,11H,2-3,7,10H2,1H3,(H2,19,27,28)