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

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: (4-cyano-2-fluoro-phenyl)methyl (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoic acid (4-cyano-2-fluorophenyl)methyl ester IUPAC Name: (4-cyano-2-fluorophenyl)methyl (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butyric acid (4-cyano-2-fluoro-benzyl) ester Formula: C19H18ClFN2O4S MolecularWeight: 424.873623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C(C=C(C=C1)C#N)F)NS(=O)(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=C(C=C(C=C1)C#N)F)NS(=O)(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C19H18ClFN2O4S/c1-12(2)18(23-28(25,26)16-5-3-4-15(20)9-16)19(24)27-11-14-7-6-13(10-22)8-17(14)21/h3-9,12,18,23H,11H2,1-2H3/t18-/m0/s1