(2-chloranyl-6-fluoranyl-phenyl)methyl (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid (2-chloro-6-fluoro-benzyl) ester Formula: C18H19ClFNO4S MolecularWeight: 399.864163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C(C=CC=C1Cl)F)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=C(C=CC=C1Cl)F)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H19ClFNO4S/c1-12(2)17(21-26(23,24)13-7-4-3-5-8-13)18(22)25-11-14-15(19)9-6-10-16(14)20/h3-10,12,17,21H,11H2,1-2H3/t17-/m0/s1