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

Systemtic Name: 3-(carboxymethylsulfanyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-(carboxymethylsulfanyl)-2-(p-tolylsulfonylamino)propanoic acid CAS Name: 3-(carboxymethylthio)-2-[(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-(carboxymethylsulfanyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-(carboxymethylthio)-2-(tosylamino)propionic acid Formula: C12H15NO6S2 MolecularWeight: 333.3806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CSCC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CSCC(=O)O)C(=O)O

InChI

InChI=1S/C12H15NO6S2/c1-8-2-4-9(5-3-8)21(18,19)13-10(12(16)17)6-20-7-11(14)15/h2-5,10,13H,6-7H2,1H3,(H,14,15)(H,16,17)