methyl 1-(5-chloranyl-2-ethylsulfonyl-pyrimidin-4-yl)carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-(5-chloranyl-2-ethylsulfonyl-pyrimidin-4-yl)carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-(5-chloro-2-ethylsulfonyl-pyrimidine-4-carbonyl)piperidine-4-carboxylate CAS Name: 1-[(5-chloro-2-ethylsulfonyl-4-pyrimidinyl)-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(5-chloro-2-ethylsulfonylpyrimidine-4-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(5-chloro-2-esyl-pyrimidine-4-carbonyl)isonipecotic acid methyl ester Formula: C14H18ClN3O5S MolecularWeight: 375.82782

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)N2CCC(CC2)C(=O)OC)Cl

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)N2CCC(CC2)C(=O)OC)Cl

InChI

InChI=1S/C14H18ClN3O5S/c1-3-24(21,22)14-16-8-10(15)11(17-14)12(19)18-6-4-9(5-7-18)13(20)23-2/h8-9H,3-7H2,1-2H3