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

Systemtic Name: 3-[[2-methyl-5-(propanoylamino)phenyl]sulfamoyl]propanoic acid Openeye Name: 3-[[2-methyl-5-(propanoylamino)phenyl]sulfamoyl]propanoic acid CAS Name: 3-[[2-methyl-5-(1-oxopropylamino)phenyl]sulfamoyl]propanoic acid IUPAC Name: 3-[[2-methyl-5-(propanoylamino)phenyl]sulfamoyl]propanoic acid Traditional Name: 3-[(2-methyl-5-propionamido-phenyl)sulfamoyl]propionic acid Formula: C13H18N2O5S MolecularWeight: 314.35742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)C)NS(=O)(=O)CCC(=O)O

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)C)NS(=O)(=O)CCC(=O)O

InChI

InChI=1S/C13H18N2O5S/c1-3-12(16)14-10-5-4-9(2)11(8-10)15-21(19,20)7-6-13(17)18/h4-5,8,15H,3,6-7H2,1-2H3,(H,14,16)(H,17,18)