2-[5-(diethylsulfamoyl)-1-(2-ethoxyphenyl)benzimidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[5-(diethylsulfamoyl)-1-(2-ethoxyphenyl)benzimidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[5-(diethylsulfamoyl)-1-(2-ethoxyphenyl)benzimidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[5-(diethylsulfamoyl)-1-(2-ethoxyphenyl)-2-benzimidazolyl]thio]acetic acid IUPAC Name: 2-[5-(diethylsulfamoyl)-1-(2-ethoxyphenyl)benzimidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[5-(diethylsulfamoyl)-1-o-phenetyl-benzimidazol-2-yl]thio]acetic acid Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)O)C3=CC=CC=C3OCC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)O)C3=CC=CC=C3OCC

InChI

InChI=1S/C21H25N3O5S2/c1-4-23(5-2)31(27,28)15-11-12-17-16(13-15)22-21(30-14-20(25)26)24(17)18-9-7-8-10-19(18)29-6-3/h7-13H,4-6,14H2,1-3H3,(H,25,26)