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

Systemtic Name: methyl 2-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid methyl ester Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O5S2/c1-23-14(20)11-25-16-18-17-15(24-16)12-6-5-7-13(10-12)26(21,22)19-8-3-2-4-9-19/h5-7,10H,2-4,8-9,11H2,1H3