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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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