(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C20H19FN2O5S2 MolecularWeight: 450.503663

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=COC(=N3)C4=CC=CS4)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=COC(=N3)C4=CC=CS4)F

InChI

InChI=1S/C20H19FN2O5S2/c21-16-7-6-14(11-18(16)30(25,26)23-8-2-1-3-9-23)20(24)28-13-15-12-27-19(22-15)17-5-4-10-29-17/h4-7,10-12H,1-3,8-9,13H2