(3-fluoranyl-4-methoxy-phenyl)methyl 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C20H22FNO5S MolecularWeight: 407.455783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)F

InChI

InChI=1S/C20H22FNO5S/c1-26-19-9-8-15(12-18(19)21)14-27-20(23)16-6-5-7-17(13-16)28(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11,14H2,1H3