(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC2=NN=C(O2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC2=NN=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C16H19N3O5S/c1-25(21,22)19-9-7-13(8-10-19)16(20)23-11-14-17-18-15(24-14)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3