3-[ethyl-(4-methylphenyl)sulfonyl-amino]propanoic acid

Systemtic Name: 3-[ethyl-(4-methylphenyl)sulfonyl-amino]propanoic acid Openeye Name: 3-[ethyl(p-tolylsulfonyl)amino]propanoic acid CAS Name: 3-[ethyl-(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[ethyl-(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[ethyl(tosyl)amino]propionic acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)O)S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCN(CCC(=O)O)S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C12H17NO4S/c1-3-13(9-8-12(14)15)18(16,17)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,14,15)