ethyl 1-[[5-(3-piperidin-1-ylsulfonylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[5-(3-piperidin-1-ylsulfonylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[5-[3-(1-piperidylsulfonyl)phenyl]-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-[3-(1-piperidinylsulfonyl)phenyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(3-piperidin-1-ylsulfonylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[5-(3-piperidinosulfonylphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]isonipecotic acid ethyl ester Formula: C22H30N4O5S2 MolecularWeight: 494.6274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CN2C(=S)OC(=N2)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CN2C(=S)OC(=N2)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H30N4O5S2/c1-2-30-21(27)17-9-13-24(14-10-17)16-26-22(32)31-20(23-26)18-7-6-8-19(15-18)33(28,29)25-11-4-3-5-12-25/h6-8,15,17H,2-5,9-14,16H2,1H3