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

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonylisonipecotic acid (4-bromo-2-fluoro-benzyl) ester Formula: C20H21BrFNO5S MolecularWeight: 486.351843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H21BrFNO5S/c1-27-17-4-6-18(7-5-17)29(25,26)23-10-8-14(9-11-23)20(24)28-13-15-2-3-16(21)12-19(15)22/h2-7,12,14H,8-11,13H2,1H3