[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C16H20BrNO5S MolecularWeight: 418.3027

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H20BrNO5S/c1-2-24(21,22)18-9-7-13(8-10-18)16(20)23-11-15(19)12-3-5-14(17)6-4-12/h3-6,13H,2,7-11H2,1H3