methyl 5-[2-[4-[(3-methylpyridin-2-yl)sulfamoyl]phenyl]ethynyl]-2-oxidanyl-benzoate

Systemtic Name: methyl 5-[2-[4-[(3-methylpyridin-2-yl)sulfamoyl]phenyl]ethynyl]-2-oxidanyl-benzoate Openeye Name: methyl 2-hydroxy-5-[2-[4-[(3-methyl-2-pyridyl)sulfamoyl]phenyl]ethynyl]benzoate CAS Name: 2-hydroxy-5-[2-[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-[2-[4-[(3-methylpyridin-2-yl)sulfamoyl]phenyl]ethynyl]benzoate Traditional Name: 2-hydroxy-5-[2-[4-[(3-methyl-2-pyridyl)sulfamoyl]phenyl]ethynyl]benzoic acid methyl ester Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O5S/c1-15-4-3-13-23-21(15)24-30(27,28)18-10-7-16(8-11-18)5-6-17-9-12-20(25)19(14-17)22(26)29-2/h3-4,7-14,25H,1-2H3,(H,23,24)