1-[2-(3,4-dimethoxyphenyl)ethyl]-7-sulfamoyl-benzimidazole-5-carboxylic acid

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-7-sulfamoyl-benzimidazole-5-carboxylic acid Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-7-sulfamoyl-benzimidazole-5-carboxylic acid CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-7-sulfamoyl-5-benzimidazolecarboxylic acid IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-7-sulfamoylbenzimidazole-5-carboxylic acid Traditional Name: 1-homoveratryl-7-sulfamoyl-benzimidazole-5-carboxylic acid Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C=NC3=C2C(=CC(=C3)C(=O)O)S(=O)(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C=NC3=C2C(=CC(=C3)C(=O)O)S(=O)(=O)N)OC

InChI

InChI=1S/C18H19N3O6S/c1-26-14-4-3-11(7-15(14)27-2)5-6-21-10-20-13-8-12(18(22)23)9-16(17(13)21)28(19,24)25/h3-4,7-10H,5-6H2,1-2H3,(H,22,23)(H2,19,24,25)