(3-fluorophenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (3-fluorophenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: (3-fluorophenyl)methyl 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (3-fluorophenyl)methyl ester IUPAC Name: (3-fluorophenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (3-fluorobenzyl) ester Formula: C21H24FNO4S MolecularWeight: 405.482963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CC(=CC=C3)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CC(=CC=C3)F

InChI

InChI=1S/C21H24FNO4S/c22-19-6-4-5-18(15-19)16-27-21(24)12-9-17-7-10-20(11-8-17)28(25,26)23-13-2-1-3-14-23/h4-8,10-11,15H,1-3,9,12-14,16H2