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

Systemtic Name: 2-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[[5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[[5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethyl ester Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCCOC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCCOC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O5S2/c26-21(17-8-3-1-4-9-17)29-14-15-31-22-24-23-20(30-22)18-10-7-11-19(16-18)32(27,28)25-12-5-2-6-13-25/h1,3-4,7-11,16H,2,5-6,12-15H2