ethyl 1-[(6-oxidanylidene-1H-pyridin-3-yl)sulfonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(6-oxidanylidene-1H-pyridin-3-yl)sulfonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperidine-3-carboxylate CAS Name: 1-[(6-oxo-1H-pyridin-3-yl)sulfonyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperidine-3-carboxylate Traditional Name: 1-[(6-keto-1H-pyridin-3-yl)sulfonyl]nipecotic acid ethyl ester Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CNC(=O)C=C2

Isomeric SMILES

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CNC(=O)C=C2

InChI

InChI=1S/C13H18N2O5S/c1-2-20-13(17)10-4-3-7-15(9-10)21(18,19)11-5-6-12(16)14-8-11/h5-6,8,10H,2-4,7,9H2,1H3,(H,14,16)