5-[2-[3-[(3-methylpyridin-2-yl)sulfamoyl]phenyl]ethynyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[3-[(3-methylpyridin-2-yl)sulfamoyl]phenyl]ethynyl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[2-[3-[(3-methyl-2-pyridyl)sulfamoyl]phenyl]ethynyl]benzoic acid CAS Name: 2-hydroxy-5-[2-[3-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]ethynyl]benzoic acid IUPAC Name: 2-hydroxy-5-[2-[3-[(3-methylpyridin-2-yl)sulfamoyl]phenyl]ethynyl]benzoic acid Traditional Name: 2-hydroxy-5-[2-[3-[(3-methyl-2-pyridyl)sulfamoyl]phenyl]ethynyl]benzoic acid Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C#CC3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CC1=C(N=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C#CC3=CC(=C(C=C3)O)C(=O)O

InChI

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