N-(2-cyanoethyl)-2-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-2-[[5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-2-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[[5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]thio]acetamide Formula: C18H21N5O4S2 MolecularWeight: 435.52044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC(=O)NCCC#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC(=O)NCCC#N

InChI

InChI=1S/C18H21N5O4S2/c19-8-5-9-20-16(24)13-28-18-22-21-17(27-18)14-6-4-7-15(12-14)29(25,26)23-10-2-1-3-11-23/h4,6-7,12H,1-3,5,9-11,13H2,(H,20,24)