ethyl 1-(5-bromanyl-6-chloranyl-pyridin-3-yl)sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(5-bromanyl-6-chloranyl-pyridin-3-yl)sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[(5-bromo-6-chloro-3-pyridyl)sulfonyl]piperidine-4-carboxylate CAS Name: 1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-bromo-6-chloropyridin-3-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(5-bromo-6-chloro-3-pyridyl)sulfonyl]isonipecotic acid ethyl ester Formula: C13H16BrClN2O4S MolecularWeight: 411.69914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(N=C2)Cl)Br

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(N=C2)Cl)Br

InChI

InChI=1S/C13H16BrClN2O4S/c1-2-21-13(18)9-3-5-17(6-4-9)22(19,20)10-7-11(14)12(15)16-8-10/h7-9H,2-6H2,1H3