(4-methylphenyl)methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-methylphenyl)methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: p-tolylmethyl 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic 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)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H22FNO4S/c1-15-5-7-16(8-6-15)14-26-20(23)17-9-10-18(21)19(13-17)27(24,25)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12,14H2,1H3