(4-bromophenyl) 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-bromophenyl) 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (4-bromophenyl) 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (4-bromophenyl) ester Formula: C13H16BrNO4S MolecularWeight: 362.23944

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC=C(C=C2)Br

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H16BrNO4S/c1-20(17,18)15-8-6-10(7-9-15)13(16)19-12-4-2-11(14)3-5-12/h2-5,10H,6-9H2,1H3