2-[1-(dimethylsulfamoyl)-4-prop-2-ynoxy-benzimidazol-2-yl]-6-methyl-pyridine-3-carboxylic acid

Systemtic Name: 2-[1-(dimethylsulfamoyl)-4-prop-2-ynoxy-benzimidazol-2-yl]-6-methyl-pyridine-3-carboxylic acid Openeye Name: 2-[1-(dimethylsulfamoyl)-4-prop-2-ynoxy-benzimidazol-2-yl]-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-[1-(dimethylsulfamoyl)-4-prop-2-ynoxy-2-benzimidazolyl]-6-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(dimethylsulfamoyl)-4-prop-2-ynoxybenzimidazol-2-yl]-6-methylpyridine-3-carboxylic acid Traditional Name: 2-[1-(dimethylsulfamoyl)-4-propargyloxy-benzimidazol-2-yl]-6-methyl-nicotinic acid Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)O)C2=NC3=C(N2S(=O)(=O)N(C)C)C=CC=C3OCC#C

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)O)C2=NC3=C(N2S(=O)(=O)N(C)C)C=CC=C3OCC#C

InChI

InChI=1S/C19H18N4O5S/c1-5-11-28-15-8-6-7-14-17(15)21-18(23(14)29(26,27)22(3)4)16-13(19(24)25)10-9-12(2)20-16/h1,6-10H,11H2,2-4H3,(H,24,25)