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

Systemtic Name: [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C17H21N3O5S/c1-12-3-5-13(6-4-12)16-18-15(25-19-16)11-24-17(21)14-7-9-20(10-8-14)26(2,22)23/h3-6,14H,7-11H2,1-2H3