3-[[4-(2-methylsulfanylethanoylamino)phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-(2-methylsulfanylethanoylamino)phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[(2-methylsulfanylacetyl)amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[2-(methylthio)-1-oxoethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[(2-methylsulfanylacetyl)amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[[2-(methylthio)acetyl]amino]phenyl]sulfonylamino]propionic acid Formula: C12H16N2O5S2 MolecularWeight: 332.39584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

CSCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C12H16N2O5S2/c1-20-8-11(15)14-9-2-4-10(5-3-9)21(18,19)13-7-6-12(16)17/h2-5,13H,6-8H2,1H3,(H,14,15)(H,16,17)