methyl 1-[2-bromanyl-4,6-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[2-bromanyl-4,6-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: methyl 1-(2-bromo-4,6-difluoro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-bromo-4,6-difluorophenyl)sulfonyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-bromo-4,6-difluoro-phenyl)sulfonylisonipecotic acid methyl ester Formula: C13H14BrF2NO4S MolecularWeight: 398.220366

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2Br)F)F

Isomeric SMILES

COC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2Br)F)F

InChI

InChI=1S/C13H14BrF2NO4S/c1-21-13(18)8-2-4-17(5-3-8)22(19,20)12-10(14)6-9(15)7-11(12)16/h6-8H,2-5H2,1H3