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

Systemtic Name: 3-oxidanyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoic acid Openeye Name: 3-hydroxy-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoic acid CAS Name: 3-hydroxy-2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoic acid Traditional Name: 3-hydroxy-2-[(4-sulfamoylbenzyl)thiocarbamoylamino]propionic acid Formula: C11H15N3O5S2 MolecularWeight: 333.3839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NC(CO)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NC(CO)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C11H15N3O5S2/c12-21(18,19)8-3-1-7(2-4-8)5-13-11(20)14-9(6-15)10(16)17/h1-4,9,15H,5-6H2,(H,16,17)(H2,12,18,19)(H2,13,14,20)