3-[(4-ethylphenyl)-methylsulfonyl-amino]propanoic acid

Systemtic Name: 3-[(4-ethylphenyl)-methylsulfonyl-amino]propanoic acid Openeye Name: 3-(4-ethyl-N-methylsulfonyl-anilino)propanoic acid CAS Name: 3-(4-ethyl-N-methylsulfonylanilino)propanoic acid IUPAC Name: 3-(4-ethyl-N-methylsulfonylanilino)propanoic acid Traditional Name: 3-(4-ethyl-N-mesyl-anilino)propionic acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(CCC(=O)O)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N(CCC(=O)O)S(=O)(=O)C

InChI

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