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

Systemtic Name: tert-butyl 2-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C19H25N3O5S2 MolecularWeight: 439.5489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O5S2/c1-19(2,3)27-16(23)13-28-18-21-20-17(26-18)14-8-7-9-15(12-14)29(24,25)22-10-5-4-6-11-22/h7-9,12H,4-6,10-11,13H2,1-3H3