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

Systemtic Name: [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-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-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5S/c1-3-27(23,24)21-10-8-15(9-11-21)18(22)25-12-16-19-17(20-26-16)14-6-4-13(2)5-7-14/h4-7,15H,3,8-12H2,1-2H3