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

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [5-(2-thienyl)isoxazol-3-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=NOC(=C3)C4=CC=CS4)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NOC(=C3)C4=CC=CS4)F

InChI

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