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

Systemtic Name: 3-[(4-fluorophenyl)-methylsulfonyl-amino]propanoic acid Openeye Name: 3-(4-fluoro-N-methylsulfonyl-anilino)propanoic acid CAS Name: 3-(4-fluoro-N-methylsulfonylanilino)propanoic acid IUPAC Name: 3-(4-fluoro-N-methylsulfonylanilino)propanoic acid Traditional Name: 3-(4-fluoro-N-mesyl-anilino)propionic acid Formula: C10H12FNO4S MolecularWeight: 261.269983

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCC(=O)O)C1=CC=C(C=C1)F

Isomeric SMILES

CS(=O)(=O)N(CCC(=O)O)C1=CC=C(C=C1)F

InChI

InChI=1S/C10H12FNO4S/c1-17(15,16)12(7-6-10(13)14)9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3,(H,13,14)