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

Systemtic Name: [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: [5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid [5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NO2)COC(=O)C3CCCCN3S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NO2)COC(=O)C3CCCCN3S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O5S/c1-16-10-12-17(13-11-16)21-23-20(24-30-21)15-29-22(26)19-9-5-6-14-25(19)31(27,28)18-7-3-2-4-8-18/h2-4,7-8,10-13,19H,5-6,9,14-15H2,1H3