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

Systemtic Name: [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O6S/c1-29-18-9-7-16(8-10-18)21-23-20(31-24-21)15-30-22(26)17-11-13-25(14-12-17)32(27,28)19-5-3-2-4-6-19/h2-10,17H,11-15H2,1H3