(2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 4-[[(3S,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3S,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3S,5R)-3,5-dimethylpiperidino]sulfonylbenzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CS3)C

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CS3)C

InChI

InChI=1S/C20H23NO5S2/c1-14-10-15(2)12-21(11-14)28(24,25)17-7-5-16(6-8-17)20(23)26-13-18(22)19-4-3-9-27-19/h3-9,14-15H,10-13H2,1-2H3/t14-,15+