(2-chloranyl-4-cyano-6-ethoxy-phenyl) 1-methylsulfonylpiperidine-3-carboxylate

Systemtic Name: (2-chloranyl-4-cyano-6-ethoxy-phenyl) 1-methylsulfonylpiperidine-3-carboxylate Openeye Name: (2-chloro-4-cyano-6-ethoxy-phenyl) 1-methylsulfonylpiperidine-3-carboxylate CAS Name: 1-methylsulfonyl-3-piperidinecarboxylic acid (2-chloro-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-chloro-4-cyano-6-ethoxyphenyl) 1-methylsulfonylpiperidine-3-carboxylate Traditional Name: 1-mesylnipecotic acid (2-chloro-4-cyano-6-ethoxy-phenyl) ester Formula: C16H19ClN2O5S MolecularWeight: 386.85046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Cl)OC(=O)C2CCCN(C2)S(=O)(=O)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Cl)OC(=O)C2CCCN(C2)S(=O)(=O)C

InChI

InChI=1S/C16H19ClN2O5S/c1-3-23-14-8-11(9-18)7-13(17)15(14)24-16(20)12-5-4-6-19(10-12)25(2,21)22/h7-8,12H,3-6,10H2,1-2H3