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

Systemtic Name: methyl 3-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate CAS Name: 3-[[5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]thio]propionic acid methyl ester Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5S2/c1-24-15(21)8-11-26-17-19-18-16(25-17)13-6-5-7-14(12-13)27(22,23)20-9-3-2-4-10-20/h5-7,12H,2-4,8-11H2,1H3