1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl ester IUPAC Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C17H20N4O7S MolecularWeight: 424.4283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C17H20N4O7S/c1-11(27-17(22)13-7-9-20(10-8-13)29(2,25)26)15-18-19-16(28-15)12-3-5-14(6-4-12)21(23)24/h3-6,11,13H,7-10H2,1-2H3