2-bromanyl-N-[3-fluoranyl-1-(4-methylsulfonylphenyl)-1-oxidanyl-propan-2-yl]-3-oxidanyl-propanamide

Systemtic Name: 2-bromanyl-N-[3-fluoranyl-1-(4-methylsulfonylphenyl)-1-oxidanyl-propan-2-yl]-3-oxidanyl-propanamide Openeye Name: 2-bromo-N-[1-(fluoromethyl)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]-3-hydroxy-propanamide CAS Name: 2-bromo-N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-3-hydroxypropanamide IUPAC Name: 2-bromo-N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-3-hydroxypropanamide Traditional Name: 2-bromo-N-[1-(fluoromethyl)-2-hydroxy-2-(4-mesylphenyl)ethyl]-3-hydroxy-propionamide Formula: C13H17BrFNO5S MolecularWeight: 398.245183

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(C(CF)NC(=O)C(CO)Br)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(C(CF)NC(=O)C(CO)Br)O

InChI

InChI=1S/C13H17BrFNO5S/c1-22(20,21)9-4-2-8(3-5-9)12(18)11(6-15)16-13(19)10(14)7-17/h2-5,10-12,17-18H,6-7H2,1H3,(H,16,19)