[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C17H17ClN2O5S2 MolecularWeight: 428.91028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=CC=C(S2)Cl)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=CC=C(S2)Cl)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C17H17ClN2O5S2/c18-16-4-3-15(26-16)14(21)11-25-17(22)12-5-8-20(9-6-12)27(23,24)13-2-1-7-19-10-13/h1-4,7,10,12H,5-6,8-9,11H2