2-[[2-[(4-methylphenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanesulfonic acid

Systemtic Name: 2-[[2-[(4-methylphenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanesulfonic acid Openeye Name: 2-[[2-(p-tolylmethyl)-3-sulfanyl-propanoyl]amino]ethanesulfonic acid CAS Name: 2-[[2-(mercaptomethyl)-3-(4-methylphenyl)-1-oxopropyl]amino]ethanesulfonic acid IUPAC Name: 2-[[2-[(4-methylphenyl)methyl]-3-sulfanylpropanoyl]amino]ethanesulfonic acid Traditional Name: 2-[[2-(mercaptomethyl)-3-(p-tolyl)propanoyl]amino]ethanesulfonic acid Formula: C13H19NO4S2 MolecularWeight: 317.42426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(CS)C(=O)NCCS(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CC(CS)C(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C13H19NO4S2/c1-10-2-4-11(5-3-10)8-12(9-19)13(15)14-6-7-20(16,17)18/h2-5,12,19H,6-9H2,1H3,(H,14,15)(H,16,17,18)