3-(carboxymethylsulfanyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-(carboxymethylsulfanyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid Openeye Name: 3-(carboxymethylsulfanyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid CAS Name: 3-(carboxymethylthio)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-(carboxymethylsulfanyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid Traditional Name: 3-(carboxymethylthio)-2-[(4-methoxyphenyl)sulfonylamino]propionic acid Formula: C12H15NO7S2 MolecularWeight: 349.38

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC(CSCC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC(CSCC(=O)O)C(=O)O

InChI

InChI=1S/C12H15NO7S2/c1-20-8-2-4-9(5-3-8)22(18,19)13-10(12(16)17)6-21-7-11(14)15/h2-5,10,13H,6-7H2,1H3,(H,14,15)(H,16,17)