4-[[3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoylamino]methyl]benzoic acid Openeye Name: 4-[[3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoylamino]methyl]benzoic acid CAS Name: 4-[[[3-[5-(dimethylsulfamoyl)-1-methyl-2-benzimidazolyl]-1-oxopropyl]amino]methyl]benzoic acid IUPAC Name: 4-[[3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoylamino]methyl]benzoic acid Traditional Name: 4-[[3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoylamino]methyl]benzoic acid Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H24N4O5S/c1-24(2)31(29,30)16-8-9-18-17(12-16)23-19(25(18)3)10-11-20(26)22-13-14-4-6-15(7-5-14)21(27)28/h4-9,12H,10-11,13H2,1-3H3,(H,22,26)(H,27,28)