ethyl 2-[2-[2-(4-bromanyl-2-fluoranyl-phenyl)ethanoylamino]-5-methylsulfonyl-phenoxy]ethanoate

Systemtic Name: ethyl 2-[2-[2-(4-bromanyl-2-fluoranyl-phenyl)ethanoylamino]-5-methylsulfonyl-phenoxy]ethanoate Openeye Name: ethyl 2-[2-[[2-(4-bromo-2-fluoro-phenyl)acetyl]amino]-5-methylsulfonyl-phenoxy]acetate CAS Name: 2-[2-[[2-(4-bromo-2-fluorophenyl)-1-oxoethyl]amino]-5-methylsulfonylphenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[2-(4-bromo-2-fluorophenyl)acetyl]amino]-5-methylsulfonylphenoxy]acetate Traditional Name: 2-[2-[[2-(4-bromo-2-fluoro-phenyl)acetyl]amino]-5-mesyl-phenoxy]acetic acid ethyl ester Formula: C19H19BrFNO6S MolecularWeight: 488.324663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=CC(=C1)S(=O)(=O)C)NC(=O)CC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CCOC(=O)COC1=C(C=CC(=C1)S(=O)(=O)C)NC(=O)CC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C19H19BrFNO6S/c1-3-27-19(24)11-28-17-10-14(29(2,25)26)6-7-16(17)22-18(23)8-12-4-5-13(20)9-15(12)21/h4-7,9-10H,3,8,11H2,1-2H3,(H,22,23)