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

Systemtic Name: (2-chloranyl-4-cyano-phenyl) 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: (2-chloro-4-cyano-phenyl) 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid (2-chloro-4-cyanophenyl) ester IUPAC Name: (2-chloro-4-cyanophenyl) 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid (2-chloro-4-cyano-phenyl) ester Formula: C15H17ClN2O4S MolecularWeight: 356.82448

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN2O4S/c1-2-23(20,21)18-7-5-12(6-8-18)15(19)22-14-4-3-11(10-17)9-13(14)16/h3-4,9,12H,2,5-8H2,1H3