2-[carboxymethyl-(4-methylphenyl)sulfonyl-amino]propanoic acid

Systemtic Name: 2-[carboxymethyl-(4-methylphenyl)sulfonyl-amino]propanoic acid Openeye Name: 2-[carboxymethyl(p-tolylsulfonyl)amino]propanoic acid CAS Name: 2-[carboxymethyl-(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: 2-[carboxymethyl-(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: 2-[carboxymethyl(tosyl)amino]propionic acid Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C(C)C(=O)O

InChI

InChI=1S/C12H15NO6S/c1-8-3-5-10(6-4-8)20(18,19)13(7-11(14)15)9(2)12(16)17/h3-6,9H,7H2,1-2H3,(H,14,15)(H,16,17)