[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C16H18FN3O5S MolecularWeight: 383.394623

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC2=NC(=NO2)C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC2=NC(=NO2)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H18FN3O5S/c1-26(22,23)20-8-6-12(7-9-20)16(21)24-10-14-18-15(19-25-14)11-2-4-13(17)5-3-11/h2-5,12H,6-10H2,1H3