(3-fluoranyl-4-methoxy-phenyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonylisonipecotic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H24FNO6S MolecularWeight: 437.481763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FNO6S/c1-27-17-4-6-18(7-5-17)30(25,26)23-11-9-16(10-12-23)21(24)29-14-15-3-8-20(28-2)19(22)13-15/h3-8,13,16H,9-12,14H2,1-2H3