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

Systemtic Name: (2-bromanyl-4-chloranyl-phenyl) 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: (2-bromo-4-chloro-phenyl) 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid (2-bromo-4-chlorophenyl) ester IUPAC Name: (2-bromo-4-chlorophenyl) 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid (2-bromo-4-chloro-phenyl) ester Formula: C14H17BrClNO4S MolecularWeight: 410.71108

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OC2=C(C=C(C=C2)Cl)Br

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OC2=C(C=C(C=C2)Cl)Br

InChI

InChI=1S/C14H17BrClNO4S/c1-2-22(19,20)17-7-5-10(6-8-17)14(18)21-13-4-3-11(16)9-12(13)15/h3-4,9-10H,2,5-8H2,1H3