ethyl (2S,3S)-2-(methylsulfonylamino)-3-(4-nitrophenyl)-3-oxidanyl-propanoate

Systemtic Name: ethyl (2S,3S)-2-(methylsulfonylamino)-3-(4-nitrophenyl)-3-oxidanyl-propanoate Openeye Name: ethyl (2S,3S)-3-hydroxy-2-(methanesulfonamido)-3-(4-nitrophenyl)propanoate CAS Name: (2S,3S)-3-hydroxy-2-(methanesulfonamido)-3-(4-nitrophenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-hydroxy-2-(methanesulfonamido)-3-(4-nitrophenyl)propanoate Traditional Name: (2S,3S)-3-hydroxy-2-(methanesulfonamido)-3-(4-nitrophenyl)propionic acid ethyl ester Formula: C12H16N2O7S MolecularWeight: 332.32964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O7S/c1-3-21-12(16)10(13-22(2,19)20)11(15)8-4-6-9(7-5-8)14(17)18/h4-7,10-11,13,15H,3H2,1-2H3/t10-,11-/m0/s1