methyl 2-(2-hydroxyethylsulfonyl)-5-sulfamoyl-benzoate

Systemtic Name: methyl 2-(2-hydroxyethylsulfonyl)-5-sulfamoyl-benzoate Openeye Name: methyl 2-(2-hydroxyethylsulfonyl)-5-sulfamoyl-benzoate CAS Name: 2-(2-hydroxyethylsulfonyl)-5-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 2-(2-hydroxyethylsulfonyl)-5-sulfamoylbenzoate Traditional Name: 2-(2-hydroxyethylsulfonyl)-5-sulfamoyl-benzoic acid methyl ester Formula: C10H13NO7S2 MolecularWeight: 323.34272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)S(=O)(=O)CCO

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)S(=O)(=O)CCO

InChI

InChI=1S/C10H13NO7S2/c1-18-10(13)8-6-7(20(11,16)17)2-3-9(8)19(14,15)5-4-12/h2-3,6,12H,4-5H2,1H3,(H2,11,16,17)