[2-[[3,5-bis(chloranyl)-6-methyl-pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[[3,5-bis(chloranyl)-6-methyl-pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[(3,5-dichloro-6-methyl-2-pyridyl)amino]-2-oxo-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dichloro-6-methylpyridin-2-yl)amino]-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [2-[(3,5-dichloro-6-methyl-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C16H21Cl2N3O5S MolecularWeight: 438.32604

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=C(C=C(C(=N2)C)Cl)Cl

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=C(C=C(C(=N2)C)Cl)Cl

InChI

InChI=1S/C16H21Cl2N3O5S/c1-3-27(24,25)21-6-4-11(5-7-21)16(23)26-9-14(22)20-15-13(18)8-12(17)10(2)19-15/h8,11H,3-7,9H2,1-2H3,(H,19,20,22)