[2-methyl-3-(2-sulfosulfanylethylamino)propanoyl]benzene

Systemtic Name: [2-methyl-3-(2-sulfosulfanylethylamino)propanoyl]benzene Openeye Name: [2-methyl-3-(2-sulfosulfanylethylamino)propanoyl]benzene CAS Name: [2-methyl-1-oxo-3-[2-(sulfothio)ethylamino]propyl]benzene IUPAC Name: [2-methyl-3-(2-sulfosulfanylethylamino)propanoyl]benzene Traditional Name: [2-methyl-3-[2-(sulfothio)ethylamino]propanoyl]benzene Formula: C12H17NO4S2 MolecularWeight: 303.39768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNCCSS(=O)(=O)O)C(=O)C1=CC=CC=C1

Isomeric SMILES

CC(CNCCSS(=O)(=O)O)C(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H17NO4S2/c1-10(9-13-7-8-18-19(15,16)17)12(14)11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3,(H,15,16,17)