(2-bromanyl-4-fluoranyl-phenyl)methyl (2S,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl)methyl (2S,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (2-bromo-4-fluoro-phenyl)methyl (2S,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-2-pyrrolidinecarboxylic acid (2-bromo-4-fluorophenyl)methyl ester IUPAC Name: (2-bromo-4-fluorophenyl)methyl (2S,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylic acid (2-bromo-4-fluoro-benzyl) ester Formula: C20H21BrFNO5S MolecularWeight: 486.351843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OCC3=C(C=C(C=C3)F)Br)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2C[C@H](C[C@H]2C(=O)OCC3=C(C=C(C=C3)F)Br)O)C

InChI

InChI=1S/C20H21BrFNO5S/c1-12-3-6-17(7-13(12)2)29(26,27)23-10-16(24)9-19(23)20(25)28-11-14-4-5-15(22)8-18(14)21/h3-8,16,19,24H,9-11H2,1-2H3/t16-,19-/m0/s1