(2S)-2-methyl-3-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile

Systemtic Name: (2S)-2-methyl-3-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile Openeye Name: (2S)-2-methyl-3-[[5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile CAS Name: (2S)-2-methyl-3-[[5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]propanenitrile IUPAC Name: (2S)-2-methyl-3-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile Traditional Name: (2S)-2-methyl-3-[[5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]thio]propionitrile Formula: C17H20N4O3S2 MolecularWeight: 392.4957

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NN=C(O1)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C#N

Isomeric SMILES

C[C@H](CSC1=NN=C(O1)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C#N

InChI

InChI=1S/C17H20N4O3S2/c1-13(11-18)12-25-17-20-19-16(24-17)14-6-5-7-15(10-14)26(22,23)21-8-3-2-4-9-21/h5-7,10,13H,2-4,8-9,12H2,1H3/t13-/m0/s1