(3-fluorophenyl)methyl 1-(4-ethanoylphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: (3-fluorophenyl)methyl 1-(4-ethanoylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: (3-fluorophenyl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate CAS Name: 1-(4-acetylphenyl)sulfonyl-2-piperidinecarboxylic acid (3-fluorophenyl)methyl ester IUPAC Name: (3-fluorophenyl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-(4-acetylphenyl)sulfonylpipecolinic acid (3-fluorobenzyl) ester Formula: C21H22FNO5S MolecularWeight: 419.466483

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC3=CC(=CC=C3)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC3=CC(=CC=C3)F

InChI

InChI=1S/C21H22FNO5S/c1-15(24)17-8-10-19(11-9-17)29(26,27)23-12-3-2-7-20(23)21(25)28-14-16-5-4-6-18(22)13-16/h4-6,8-11,13,20H,2-3,7,12,14H2,1H3