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

Systemtic Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (3-p-cumenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O5S/c1-17(2)18-8-10-19(11-9-18)23-25-22(32-26-23)16-31-24(28)20-12-14-27(15-13-20)33(29,30)21-6-4-3-5-7-21/h3-11,17,20H,12-16H2,1-2H3