(2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C20H23NO5S2 MolecularWeight: 421.53032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)C3=CC=CS3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)C3=CC=CS3

InChI

InChI=1S/C20H23NO5S2/c22-18(19-5-4-14-27-19)15-26-20(23)11-8-16-6-9-17(10-7-16)28(24,25)21-12-2-1-3-13-21/h4-7,9-10,14H,1-3,8,11-13,15H2