2-(3-piperidin-1-ylsulfonylphenyl)-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(3-piperidin-1-ylsulfonylphenyl)-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-[(4-isopropylphenyl)methylsulfanyl]-5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazole CAS Name: 2-[3-(1-piperidinylsulfonyl)phenyl]-5-[(4-propan-2-ylphenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(3-piperidin-1-ylsulfonylphenyl)-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-[(4-isopropylbenzyl)thio]-5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazole Formula: C23H27N3O3S2 MolecularWeight: 457.60878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC2=NN=C(O2)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC2=NN=C(O2)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H27N3O3S2/c1-17(2)19-11-9-18(10-12-19)16-30-23-25-24-22(29-23)20-7-6-8-21(15-20)31(27,28)26-13-4-3-5-14-26/h6-12,15,17H,3-5,13-14,16H2,1-2H3