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

Systemtic Name: 2-[1-(dimethylsulfamoyl)-5-prop-2-ynoxy-benzimidazol-2-yl]pyridine-3-carboxylic acid Openeye Name: 2-[1-(dimethylsulfamoyl)-5-prop-2-ynoxy-benzimidazol-2-yl]pyridine-3-carboxylic acid CAS Name: 2-[1-(dimethylsulfamoyl)-5-prop-2-ynoxy-2-benzimidazolyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(dimethylsulfamoyl)-5-prop-2-ynoxybenzimidazol-2-yl]pyridine-3-carboxylic acid Traditional Name: 2-[1-(dimethylsulfamoyl)-5-propargyloxy-benzimidazol-2-yl]nicotinic acid Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1C2=C(C=C(C=C2)OCC#C)N=C1C3=C(C=CC=N3)C(=O)O

Isomeric SMILES

CN(C)S(=O)(=O)N1C2=C(C=C(C=C2)OCC#C)N=C1C3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C18H16N4O5S/c1-4-10-27-12-7-8-15-14(11-12)20-17(22(15)28(25,26)21(2)3)16-13(18(23)24)6-5-9-19-16/h1,5-9,11H,10H2,2-3H3,(H,23,24)