(4-bromophenyl) 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (4-bromophenyl) 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (4-bromophenyl) 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (4-bromophenyl) ester Formula: C18H18BrNO4S MolecularWeight: 424.30882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO4S/c19-15-6-8-16(9-7-15)24-18(21)14-10-12-20(13-11-14)25(22,23)17-4-2-1-3-5-17/h1-9,14H,10-13H2