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

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

CC(C(=O)OC)SC1=NN=C(O1)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@H](C(=O)OC)SC1=NN=C(O1)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C17H21N3O5S2/c1-12(16(21)24-2)26-17-19-18-15(25-17)13-7-6-8-14(11-13)27(22,23)20-9-4-3-5-10-20/h6-8,11-12H,3-5,9-10H2,1-2H3/t12-/m1/s1