(5-chloranyl-2-methoxy-phenyl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (5-chloro-2-methoxy-phenyl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxylic acid (5-chloro-2-methoxyphenyl)methyl ester IUPAC Name: (5-chloro-2-methoxyphenyl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylnipecotic acid (5-chloro-2-methoxy-benzyl) ester Formula: C20H21ClFNO5S MolecularWeight: 441.900843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)COC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)COC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21ClFNO5S/c1-27-19-9-4-16(21)11-15(19)13-28-20(24)14-3-2-10-23(12-14)29(25,26)18-7-5-17(22)6-8-18/h4-9,11,14H,2-3,10,12-13H2,1H3