(4-nitrophenyl)methyl (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: (4-nitrophenyl)methyl (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: (4-nitrophenyl)methyl (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid (4-nitrobenzyl) ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H20N2O6S/c1-13(2)17(19-27(24,25)16-6-4-3-5-7-16)18(21)26-12-14-8-10-15(11-9-14)20(22)23/h3-11,13,17,19H,12H2,1-2H3/t17-/m0/s1