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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OC2=C(C=C(C=C2)Br)Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)OC2=C(C=C(C=C2)Br)Cl)S(=O)(=O)C3=CC=CC=C3

InChI

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