(5-phenyl-1,2-oxazol-3-yl)methyl (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: (5-phenylisoxazol-3-yl)methyl (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid (5-phenylisoxazol-3-yl)methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NOC(=C1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=NOC(=C1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5S/c1-15(2)20(23-29(25,26)18-11-7-4-8-12-18)21(24)27-14-17-13-19(28-22-17)16-9-5-3-6-10-16/h3-13,15,20,23H,14H2,1-2H3/t20-/m0/s1