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

Systemtic Name: (2-chloranyl-4-fluoranyl-phenyl)methyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (2-chloro-4-fluoro-phenyl)methyl (2S)-3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid (2-chloro-4-fluorophenyl)methyl ester IUPAC Name: (2-chloro-4-fluorophenyl)methyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-(tosylamino)butyric acid (2-chloro-4-fluoro-benzyl) ester Formula: C19H21ClFNO4S MolecularWeight: 413.890743

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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=C(C=C2)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClFNO4S/c1-12(2)18(22-27(24,25)16-8-4-13(3)5-9-16)19(23)26-11-14-6-7-15(21)10-17(14)20/h4-10,12,18,22H,11H2,1-3H3/t18-/m0/s1