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

Systemtic Name: (4-methylphenyl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: p-tolylmethyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylnipecotic acid (4-methylbenzyl) ester Formula: C20H22FNO4S MolecularWeight: 391.456383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FNO4S/c1-15-4-6-16(7-5-15)14-26-20(23)17-3-2-12-22(13-17)27(24,25)19-10-8-18(21)9-11-19/h4-11,17H,2-3,12-14H2,1H3