(3-fluoranyl-4-methoxy-phenyl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H24FNO5S MolecularWeight: 421.482363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H24FNO5S/c1-15-6-8-17(29(25,26)23-10-4-3-5-11-23)13-18(15)21(24)28-14-16-7-9-20(27-2)19(22)12-16/h6-9,12-13H,3-5,10-11,14H2,1-2H3