[2,3-bis(fluoranyl)phenyl]methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [2,3-bis(fluoranyl)phenyl]methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: (2,3-difluorophenyl)methyl 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (2,3-difluorophenyl)methyl ester IUPAC Name: (2,3-difluorophenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (2,3-difluorobenzyl) ester Formula: C21H23F2NO4S MolecularWeight: 423.473426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23F2NO4S/c22-19-6-4-5-17(21(19)23)15-28-20(25)12-9-16-7-10-18(11-8-16)29(26,27)24-13-2-1-3-14-24/h4-8,10-11H,1-3,9,12-15H2