(2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 2-[2-oxo-2-(1-piperidyl)ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]benzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-piperidino-ethyl)thio]benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCCC3

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCCC3

InChI

InChI=1S/C21H28N2O4S/c24-19(22-11-5-1-6-12-22)15-27-21(26)17-9-3-4-10-18(17)28-16-20(25)23-13-7-2-8-14-23/h3-4,9-10H,1-2,5-8,11-16H2