2-[(2-ethylphenyl)-methylsulfonyl-amino]propanoic acid

Systemtic Name: 2-[(2-ethylphenyl)-methylsulfonyl-amino]propanoic acid Openeye Name: 2-(2-ethyl-N-methylsulfonyl-anilino)propanoic acid CAS Name: 2-(2-ethyl-N-methylsulfonylanilino)propanoic acid IUPAC Name: 2-(2-ethyl-N-methylsulfonylanilino)propanoic acid Traditional Name: 2-(2-ethyl-N-mesyl-anilino)propionic acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(C(C)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=CC=C1N(C(C)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C12H17NO4S/c1-4-10-7-5-6-8-11(10)13(18(3,16)17)9(2)12(14)15/h5-9H,4H2,1-3H3,(H,14,15)