4-[(2-fluoranyl-5-methylsulfonyl-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-fluoranyl-5-methylsulfonyl-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-fluoro-5-methylsulfonyl-anilino)-4-oxo-butanoic acid CAS Name: 4-(2-fluoro-5-methylsulfonylanilino)-4-oxobutanoic acid IUPAC Name: 4-(2-fluoro-5-methylsulfonylanilino)-4-oxobutanoic acid Traditional Name: 4-(2-fluoro-5-mesyl-anilino)-4-keto-butyric acid Formula: C11H12FNO5S MolecularWeight: 289.280083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12FNO5S/c1-19(17,18)7-2-3-8(12)9(6-7)13-10(14)4-5-11(15)16/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16)