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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=CC2=C1N=C(N2S(=O)(=O)N(C)C)C3=C(C=CC=N3)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=CC2=C1N=C(N2S(=O)(=O)N(C)C)C3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C19H18N4O5S/c1-4-5-12-28-15-10-6-9-14-17(15)21-18(23(14)29(26,27)22(2)3)16-13(19(24)25)8-7-11-20-16/h6-11H,12H2,1-3H3,(H,24,25)