5-(4-methylphenyl)-3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole

Systemtic Name: 5-(4-methylphenyl)-3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole Openeye Name: 5-(p-tolyl)-3-[1-(p-tolylsulfonyl)-3-piperidyl]-1,2,4-oxadiazole CAS Name: 5-(4-methylphenyl)-3-[1-(4-methylphenyl)sulfonyl-3-piperidinyl]-1,2,4-oxadiazole IUPAC Name: 5-(4-methylphenyl)-3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole Traditional Name: 5-(p-tolyl)-3-(1-tosyl-3-piperidyl)-1,2,4-oxadiazole Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NO2)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NO2)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H23N3O3S/c1-15-5-9-17(10-6-15)21-22-20(23-27-21)18-4-3-13-24(14-18)28(25,26)19-11-7-16(2)8-12-19/h5-12,18H,3-4,13-14H2,1-2H3