methyl 3-[3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoylamino]benzoate

Systemtic Name: methyl 3-[3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoylamino]benzoate Openeye Name: methyl 3-[3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoylamino]benzoate CAS Name: 3-[[3-[5-(dimethylsulfamoyl)-1-methyl-2-benzimidazolyl]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoylamino]benzoate Traditional Name: 3-[3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoylamino]benzoic acid methyl ester 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)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C21H24N4O5S/c1-24(2)31(28,29)16-8-9-18-17(13-16)23-19(25(18)3)10-11-20(26)22-15-7-5-6-14(12-15)21(27)30-4/h5-9,12-13H,10-11H2,1-4H3,(H,22,26)