(4-bromophenyl) 1-(4-ethanoylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-bromophenyl) 1-(4-ethanoylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-bromophenyl) 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-acetylphenyl)sulfonyl-4-piperidinecarboxylic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-acetylphenyl)sulfonylisonipecotic acid (4-bromophenyl) ester Formula: C20H20BrNO5S MolecularWeight: 466.3455

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrNO5S/c1-14(23)15-2-8-19(9-3-15)28(25,26)22-12-10-16(11-13-22)20(24)27-18-6-4-17(21)5-7-18/h2-9,16H,10-13H2,1H3