5-[2-[4-[methyl(pyridin-2-yl)sulfamoyl]phenyl]ethynyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[4-[methyl(pyridin-2-yl)sulfamoyl]phenyl]ethynyl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[2-[4-[methyl(2-pyridyl)sulfamoyl]phenyl]ethynyl]benzoic acid CAS Name: 2-hydroxy-5-[2-[4-[methyl(2-pyridinyl)sulfamoyl]phenyl]ethynyl]benzoic acid IUPAC Name: 2-hydroxy-5-[2-[4-[methyl(pyridin-2-yl)sulfamoyl]phenyl]ethynyl]benzoic acid Traditional Name: 2-hydroxy-5-[2-[4-[methyl(2-pyridyl)sulfamoyl]phenyl]ethynyl]benzoic acid Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=N1)S(=O)(=O)C2=CC=C(C=C2)C#CC3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CN(C1=CC=CC=N1)S(=O)(=O)C2=CC=C(C=C2)C#CC3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C21H16N2O5S/c1-23(20-4-2-3-13-22-20)29(27,28)17-10-7-15(8-11-17)5-6-16-9-12-19(24)18(14-16)21(25)26/h2-4,7-14,24H,1H3,(H,25,26)