2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]ethanoic acid Openeye Name: 2-(3-chloro-4-fluoro-N-methylsulfonyl-anilino)acetic acid CAS Name: 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetic acid IUPAC Name: 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetic acid Traditional Name: 2-(3-chloro-4-fluoro-N-mesyl-anilino)acetic acid Formula: C9H9ClFNO4S MolecularWeight: 281.688463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9ClFNO4S/c1-17(15,16)12(5-9(13)14)6-2-3-8(11)7(10)4-6/h2-4H,5H2,1H3,(H,13,14)