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

Systemtic Name: [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-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-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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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)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H21N3O5S2/c1-14-4-6-15(7-5-14)19-21-17(28-22-19)13-27-20(24)16-8-10-23(11-9-16)30(25,26)18-3-2-12-29-18/h2-7,12,16H,8-11,13H2,1H3