[2-(4-bromophenyl)-2-oxidanylidene-ethyl] (2R)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] (2R)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] (2R)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxylate CAS Name: (2R)-1-(4-fluorophenyl)sulfonyl-2-piperidinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] (2R)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxylate Traditional Name: (2R)-1-(4-fluorophenyl)sulfonylpipecolinic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C20H19BrFNO5S MolecularWeight: 484.335963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCN([C@H](C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H19BrFNO5S/c21-15-6-4-14(5-7-15)19(24)13-28-20(25)18-3-1-2-12-23(18)29(26,27)17-10-8-16(22)9-11-17/h4-11,18H,1-3,12-13H2/t18-/m1/s1