methyl 2-oxidanyl-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethynyl]benzoate

Systemtic Name: methyl 2-oxidanyl-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethynyl]benzoate Openeye Name: methyl 2-hydroxy-5-[2-[4-(2-pyridylsulfamoyl)phenyl]ethynyl]benzoate CAS Name: 2-hydroxy-5-[2-[4-(2-pyridinylsulfamoyl)phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethynyl]benzoate Traditional Name: 2-hydroxy-5-[2-[4-(2-pyridylsulfamoyl)phenyl]ethynyl]benzoic acid methyl ester Formula: C21H16N2O5S MolecularWeight: 408.42714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C#CC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C#CC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)O

InChI

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