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

Systemtic Name: 3-(carboxymethylamino)-2-[(4-methylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-(carboxymethylamino)-2-(p-tolylsulfonylamino)propanoic acid CAS Name: 3-(carboxymethylamino)-2-[(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-(carboxymethylamino)-2-[(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-(carboxymethylamino)-2-(tosylamino)propionic acid Formula: C12H16N2O6S MolecularWeight: 316.33024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O6S/c1-8-2-4-9(5-3-8)21(19,20)14-10(12(17)18)6-13-7-11(15)16/h2-5,10,13-14H,6-7H2,1H3,(H,15,16)(H,17,18)