(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C21H20FN3O5S MolecularWeight: 445.464003

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4)F

InChI

InChI=1S/C21H20FN3O5S/c22-17-10-9-16(13-18(17)31(27,28)25-11-5-2-6-12-25)21(26)29-14-19-23-20(24-30-19)15-7-3-1-4-8-15/h1,3-4,7-10,13H,2,5-6,11-12,14H2