(5-cyano-2-fluoranyl-phenyl)methyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl (2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-tosylpyrrolidine-2-carboxylic acid (5-cyano-2-fluoro-benzyl) ester Formula: C20H19FN2O4S MolecularWeight: 402.439263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC3=C(C=CC(=C3)C#N)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)OCC3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C20H19FN2O4S/c1-14-4-7-17(8-5-14)28(25,26)23-10-2-3-19(23)20(24)27-13-16-11-15(12-22)6-9-18(16)21/h4-9,11,19H,2-3,10,13H2,1H3/t19-/m0/s1