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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-7-sulfamoyl-benzimidazole-5-carboxylic acid Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-7-sulfamoyl-benzimidazole-5-carboxylic acid CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-7-sulfamoyl-5-benzimidazolecarboxylic acid IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-7-sulfamoylbenzimidazole-5-carboxylic acid Traditional Name: 1-homoveratryl-2-methyl-7-sulfamoyl-benzimidazole-5-carboxylic acid Formula: C19H21N3O6S MolecularWeight: 419.45154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CCC3=CC(=C(C=C3)OC)OC)C(=CC(=C2)C(=O)O)S(=O)(=O)N

Isomeric SMILES

CC1=NC2=C(N1CCC3=CC(=C(C=C3)OC)OC)C(=CC(=C2)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C19H21N3O6S/c1-11-21-14-9-13(19(23)24)10-17(29(20,25)26)18(14)22(11)7-6-12-4-5-15(27-2)16(8-12)28-3/h4-5,8-10H,6-7H2,1-3H3,(H,23,24)(H2,20,25,26)