3-methylsulfonyl-2-(phenylsulfanylcarbamoylamino)propanoic acid

Systemtic Name: 3-methylsulfonyl-2-(phenylsulfanylcarbamoylamino)propanoic acid Openeye Name: 3-methylsulfonyl-2-(phenylsulfanylcarbamoylamino)propanoic acid CAS Name: 3-methylsulfonyl-2-[[oxo-[(phenylthio)amino]methyl]amino]propanoic acid IUPAC Name: 3-methylsulfonyl-2-(phenylsulfanylcarbamoylamino)propanoic acid Traditional Name: 3-mesyl-2-[(phenylthio)carbamoylamino]propionic acid Formula: C11H14N2O5S2 MolecularWeight: 318.36926

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(C(=O)O)NC(=O)NSC1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)CC(C(=O)O)NC(=O)NSC1=CC=CC=C1

InChI

InChI=1S/C11H14N2O5S2/c1-20(17,18)7-9(10(14)15)12-11(16)13-19-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,14,15)(H2,12,13,16)