1-(4-methylphenyl)-2-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(4-methylphenyl)-2-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one Openeye Name: 2-[[5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(p-tolyl)propan-1-one CAS Name: 1-(4-methylphenyl)-2-[[5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]-1-propanone IUPAC Name: 1-(4-methylphenyl)-2-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one Traditional Name: 2-[[5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(p-tolyl)propan-1-one Formula: C23H25N3O4S2 MolecularWeight: 471.5923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(O2)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(O2)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H25N3O4S2/c1-16-9-11-18(12-10-16)21(27)17(2)31-23-25-24-22(30-23)19-7-6-8-20(15-19)32(28,29)26-13-4-3-5-14-26/h6-12,15,17H,3-5,13-14H2,1-2H3