3-oxidanyl-2-[(4-sulfamoylphenyl)carbamothioylamino]propanoic acid

Systemtic Name: 3-oxidanyl-2-[(4-sulfamoylphenyl)carbamothioylamino]propanoic acid Openeye Name: 3-hydroxy-2-[(4-sulfamoylphenyl)carbamothioylamino]propanoic acid CAS Name: 3-hydroxy-2-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[(4-sulfamoylphenyl)carbamothioylamino]propanoic acid Traditional Name: 3-hydroxy-2-[(4-sulfamoylphenyl)thiocarbamoylamino]propionic acid Formula: C10H13N3O5S2 MolecularWeight: 319.35732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC(CO)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NC(CO)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C10H13N3O5S2/c11-20(17,18)7-3-1-6(2-4-7)12-10(19)13-8(5-14)9(15)16/h1-4,8,14H,5H2,(H,15,16)(H2,11,17,18)(H2,12,13,19)