(2-chloranyl-6-fluoranyl-phenyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonylisonipecotic acid (2-chloro-6-fluoro-benzyl) ester Formula: C20H21ClFNO5S MolecularWeight: 441.900843

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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=CC=C3Cl)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H21ClFNO5S/c1-27-15-5-7-16(8-6-15)29(25,26)23-11-9-14(10-12-23)20(24)28-13-17-18(21)3-2-4-19(17)22/h2-8,14H,9-13H2,1H3