3-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]-1,2,4-oxadiazole

Systemtic Name: 3-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]-1,2,4-oxadiazole Openeye Name: 3-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfonyl-2-piperidyl]-1,2,4-oxadiazole CAS Name: 3-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfonyl-2-piperidinyl]-1,2,4-oxadiazole IUPAC Name: 3-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]-1,2,4-oxadiazole Traditional Name: 5-(1-mesitylsulfonyl-2-piperidyl)-3-phenyl-1,2,4-oxadiazole Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCCC2C3=NC(=NO3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCCC2C3=NC(=NO3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H25N3O3S/c1-15-13-16(2)20(17(3)14-15)29(26,27)25-12-8-7-11-19(25)22-23-21(24-28-22)18-9-5-4-6-10-18/h4-6,9-10,13-14,19H,7-8,11-12H2,1-3H3