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

Systemtic Name: 4-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one Openeye Name: 4-[[5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one CAS Name: 4-[[5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]-2-butanone IUPAC Name: 4-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one Traditional Name: 4-[[5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]thio]butan-2-one Formula: C17H21N3O4S2 MolecularWeight: 395.49634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NN=C(O1)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(=O)CCSC1=NN=C(O1)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C17H21N3O4S2/c1-13(21)8-11-25-17-19-18-16(24-17)14-6-5-7-15(12-14)26(22,23)20-9-3-2-4-10-20/h5-7,12H,2-4,8-11H2,1H3