(4-fluorophenyl)methyl 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-fluorophenyl)methyl 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-fluorophenyl)methyl 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3-acetylphenyl)sulfonyl-4-piperidinecarboxylic acid (4-fluorophenyl)methyl ester IUPAC Name: (4-fluorophenyl)methyl 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-acetylphenyl)sulfonylisonipecotic acid (4-fluorobenzyl) ester Formula: C21H22FNO5S MolecularWeight: 419.466483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FNO5S/c1-15(24)18-3-2-4-20(13-18)29(26,27)23-11-9-17(10-12-23)21(25)28-14-16-5-7-19(22)8-6-16/h2-8,13,17H,9-12,14H2,1H3