ethyl 6-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[[5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-3-carboxylate CAS Name: 6-[[5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-3-carboxylate Traditional Name: 6-[[5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]thio]nicotinic acid ethyl ester Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(O2)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(O2)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H22N4O5S2/c1-2-29-20(26)16-9-10-18(22-14-16)31-21-24-23-19(30-21)15-7-6-8-17(13-15)32(27,28)25-11-4-3-5-12-25/h6-10,13-14H,2-5,11-12H2,1H3