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

Systemtic Name: 4-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[[5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-thienyl)butan-1-one CAS Name: 4-[[5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[[5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(2-thienyl)butan-1-one Formula: C21H23N3O4S3 MolecularWeight: 477.62002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCCCC(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCCCC(=O)C4=CC=CS4

InChI

InChI=1S/C21H23N3O4S3/c25-18(19-10-6-13-29-19)9-5-14-30-21-23-22-20(28-21)16-7-4-8-17(15-16)31(26,27)24-11-2-1-3-12-24/h4,6-8,10,13,15H,1-3,5,9,11-12,14H2