(4-bromanyl-2-fluoranyl-phenyl)methyl 1-(4-ethanoylphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 1-(4-ethanoylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate CAS Name: 1-(4-acetylphenyl)sulfonyl-2-piperidinecarboxylic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-(4-acetylphenyl)sulfonylpipecolinic acid (4-bromo-2-fluoro-benzyl) ester Formula: C21H21BrFNO5S MolecularWeight: 498.362543

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C21H21BrFNO5S/c1-14(25)15-6-9-18(10-7-15)30(27,28)24-11-3-2-4-20(24)21(26)29-13-16-5-8-17(22)12-19(16)23/h5-10,12,20H,2-4,11,13H2,1H3