3-[(2-methyl-5-methylsulfonyl-phenyl)sulfamoyl]propanoic acid

Systemtic Name: 3-[(2-methyl-5-methylsulfonyl-phenyl)sulfamoyl]propanoic acid Openeye Name: 3-[(2-methyl-5-methylsulfonyl-phenyl)sulfamoyl]propanoic acid CAS Name: 3-[(2-methyl-5-methylsulfonylphenyl)sulfamoyl]propanoic acid IUPAC Name: 3-[(2-methyl-5-methylsulfonylphenyl)sulfamoyl]propanoic acid Traditional Name: 3-[(5-mesyl-2-methyl-phenyl)sulfamoyl]propionic acid Formula: C11H15NO6S2 MolecularWeight: 321.3699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)NS(=O)(=O)CCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)NS(=O)(=O)CCC(=O)O

InChI

InChI=1S/C11H15NO6S2/c1-8-3-4-9(19(2,15)16)7-10(8)12-20(17,18)6-5-11(13)14/h3-4,7,12H,5-6H2,1-2H3,(H,13,14)