(4-bromanyl-2-chloranyl-phenyl) 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (4-bromo-2-chloro-phenyl) 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (4-bromo-2-chloro-phenyl) ester Formula: C18H17BrClNO4S MolecularWeight: 458.75388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=C(C=C(C=C2)Br)Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OC2=C(C=C(C=C2)Br)Cl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17BrClNO4S/c19-14-6-7-17(16(20)12-14)25-18(22)13-8-10-21(11-9-13)26(23,24)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2