4-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]benzoic acid

Systemtic Name: 4-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]benzoic acid Openeye Name: 4-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]benzoic acid CAS Name: 4-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-5-benzimidazolyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[2-[2-(4-cyanophenyl)ethyl]-1-methylbenzimidazol-5-yl]sulfamoyl]benzoic acid Traditional Name: 4-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]benzoic acid Formula: C24H20N4O4S MolecularWeight: 460.505

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O)N=C1CCC4=CC=C(C=C4)C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O)N=C1CCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H20N4O4S/c1-28-22-12-9-19(27-33(31,32)20-10-7-18(8-11-20)24(29)30)14-21(22)26-23(28)13-6-16-2-4-17(15-25)5-3-16/h2-5,7-12,14,27H,6,13H2,1H3,(H,29,30)