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

Systemtic Name: 2-[1-(dimethylsulfamoyl)-4-prop-2-ynoxy-benzimidazol-2-yl]pyridine-3-carboxylic acid Openeye Name: 2-[1-(dimethylsulfamoyl)-4-prop-2-ynoxy-benzimidazol-2-yl]pyridine-3-carboxylic acid CAS Name: 2-[1-(dimethylsulfamoyl)-4-prop-2-ynoxy-2-benzimidazolyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(dimethylsulfamoyl)-4-prop-2-ynoxybenzimidazol-2-yl]pyridine-3-carboxylic acid Traditional Name: 2-[1-(dimethylsulfamoyl)-4-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(=CC=C2)OCC#C)N=C1C3=C(C=CC=N3)C(=O)O

Isomeric SMILES

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

InChI

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