[4-(4-bromophenyl)phenyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [4-(4-bromophenyl)phenyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [4-(4-bromophenyl)phenyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [4-(4-bromophenyl)phenyl] ester IUPAC Name: [4-(4-bromophenyl)phenyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [4-(4-bromophenyl)phenyl] ester Formula: C19H20BrNO4S MolecularWeight: 438.3354

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H20BrNO4S/c1-26(23,24)21-12-10-16(11-13-21)19(22)25-18-8-4-15(5-9-18)14-2-6-17(20)7-3-14/h2-9,16H,10-13H2,1H3