ethyl (3R)-1-[2,5-bis(chloranyl)-4-ethoxy-phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-[2,5-bis(chloranyl)-4-ethoxy-phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: ethyl (3R)-1-(2,5-dichloro-4-ethoxy-phenyl)sulfonylpiperidine-3-carboxylate CAS Name: (3R)-1-(2,5-dichloro-4-ethoxyphenyl)sulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-(2,5-dichloro-4-ethoxyphenyl)sulfonylpiperidine-3-carboxylate Traditional Name: (3R)-1-(2,5-dichloro-4-ethoxy-phenyl)sulfonylnipecotic acid ethyl ester Formula: C16H21Cl2NO5S MolecularWeight: 410.31264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1Cl)S(=O)(=O)N2CCCC(C2)C(=O)OCC)Cl

Isomeric SMILES

CCOC1=CC(=C(C=C1Cl)S(=O)(=O)N2CCC[C@H](C2)C(=O)OCC)Cl

InChI

InChI=1S/C16H21Cl2NO5S/c1-3-23-14-8-13(18)15(9-12(14)17)25(21,22)19-7-5-6-11(10-19)16(20)24-4-2/h8-9,11H,3-7,10H2,1-2H3/t11-/m1/s1