(4-cyano-2-methoxy-phenyl) 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: (4-cyano-2-methoxy-phenyl) 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid (4-cyano-2-methoxy-phenyl) ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OC2=C(C=C(C=C2)C#N)OC

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OC2=C(C=C(C=C2)C#N)OC

InChI

InChI=1S/C16H20N2O5S/c1-3-24(20,21)18-8-6-13(7-9-18)16(19)23-14-5-4-12(11-17)10-15(14)22-2/h4-5,10,13H,3,6-9H2,1-2H3