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

Systemtic Name: [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-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-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C21H22N4O5S MolecularWeight: 442.48818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NO2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NO2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H22N4O5S/c1-15-4-6-16(7-5-15)20-23-19(24-30-20)14-29-21(26)17-8-11-25(12-9-17)31(27,28)18-3-2-10-22-13-18/h2-7,10,13,17H,8-9,11-12,14H2,1H3