2-[2-[2-(4-bromanyl-2-fluoranyl-phenyl)ethanoylamino]-5-methylsulfonyl-phenoxy]ethanoic acid

Systemtic Name: 2-[2-[2-(4-bromanyl-2-fluoranyl-phenyl)ethanoylamino]-5-methylsulfonyl-phenoxy]ethanoic acid Openeye Name: 2-[2-[[2-(4-bromo-2-fluoro-phenyl)acetyl]amino]-5-methylsulfonyl-phenoxy]acetic acid CAS Name: 2-[2-[[2-(4-bromo-2-fluorophenyl)-1-oxoethyl]amino]-5-methylsulfonylphenoxy]acetic acid IUPAC Name: 2-[2-[[2-(4-bromo-2-fluorophenyl)acetyl]amino]-5-methylsulfonylphenoxy]acetic acid Traditional Name: 2-[2-[[2-(4-bromo-2-fluoro-phenyl)acetyl]amino]-5-mesyl-phenoxy]acetic acid Formula: C17H15BrFNO6S MolecularWeight: 460.271503

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NC(=O)CC2=C(C=C(C=C2)Br)F)OCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NC(=O)CC2=C(C=C(C=C2)Br)F)OCC(=O)O

InChI

InChI=1S/C17H15BrFNO6S/c1-27(24,25)12-4-5-14(15(8-12)26-9-17(22)23)20-16(21)6-10-2-3-11(18)7-13(10)19/h2-5,7-8H,6,9H2,1H3,(H,20,21)(H,22,23)