(5-cyano-2-fluoranyl-phenyl)methyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl (2S)-3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-(tosylamino)butyric acid (5-cyano-2-fluoro-benzyl) ester Formula: C20H21FN2O4S MolecularWeight: 404.455143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OCC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)OCC2=C(C=CC(=C2)C#N)F

InChI

InChI=1S/C20H21FN2O4S/c1-13(2)19(23-28(25,26)17-7-4-14(3)5-8-17)20(24)27-12-16-10-15(11-22)6-9-18(16)21/h4-10,13,19,23H,12H2,1-3H3/t19-/m0/s1