(2-cyanophenyl)methyl (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: (2-cyanophenyl)methyl (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: (2-cyanophenyl)methyl (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid (2-cyanobenzyl) ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1C#N)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC=C1C#N)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H20N2O4S/c1-14(2)18(21-26(23,24)17-10-4-3-5-11-17)19(22)25-13-16-9-7-6-8-15(16)12-20/h3-11,14,18,21H,13H2,1-2H3/t18-/m0/s1