4-(2-sulfanylethanoylamino)benzenesulfonic acid

Systemtic Name: 4-(2-sulfanylethanoylamino)benzenesulfonic acid Openeye Name: 4-[(2-sulfanylacetyl)amino]benzenesulfonic acid CAS Name: 4-[(2-mercapto-1-oxoethyl)amino]benzenesulfonic acid IUPAC Name: 4-[(2-sulfanylacetyl)amino]benzenesulfonic acid Traditional Name: 4-[(2-mercaptoacetyl)amino]besylic acid Formula: C8H9NO4S2 MolecularWeight: 247.29136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CS)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CS)S(=O)(=O)O

InChI

InChI=1S/C8H9NO4S2/c10-8(5-14)9-6-1-3-7(4-2-6)15(11,12)13/h1-4,14H,5H2,(H,9,10)(H,11,12,13)