2-[1-(dimethylsulfamoyl)-4-prop-2-ynoxy-benzimidazol-2-yl]-5-ethyl-pyridine-3-carboxylic acid

Systemtic Name: 2-[1-(dimethylsulfamoyl)-4-prop-2-ynoxy-benzimidazol-2-yl]-5-ethyl-pyridine-3-carboxylic acid Openeye Name: 2-[1-(dimethylsulfamoyl)-4-prop-2-ynoxy-benzimidazol-2-yl]-5-ethyl-pyridine-3-carboxylic acid CAS Name: 2-[1-(dimethylsulfamoyl)-4-prop-2-ynoxy-2-benzimidazolyl]-5-ethyl-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(dimethylsulfamoyl)-4-prop-2-ynoxybenzimidazol-2-yl]-5-ethylpyridine-3-carboxylic acid Traditional Name: 2-[1-(dimethylsulfamoyl)-4-propargyloxy-benzimidazol-2-yl]-5-ethyl-nicotinic acid Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C(=C1)C(=O)O)C2=NC3=C(N2S(=O)(=O)N(C)C)C=CC=C3OCC#C

Isomeric SMILES

CCC1=CN=C(C(=C1)C(=O)O)C2=NC3=C(N2S(=O)(=O)N(C)C)C=CC=C3OCC#C

InChI

InChI=1S/C20H20N4O5S/c1-5-10-29-16-9-7-8-15-18(16)22-19(24(15)30(27,28)23(3)4)17-14(20(25)26)11-13(6-2)12-21-17/h1,7-9,11-12H,6,10H2,2-4H3,(H,25,26)