(2S,3S)-2-[(4-nitrophenyl)methylsulfonylamino]-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-[(4-nitrophenyl)methylsulfonylamino]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-3-hydroxy-2-[(4-nitrophenyl)methylsulfonylamino]butanoate CAS Name: (2S,3S)-3-hydroxy-2-[(4-nitrophenyl)methylsulfonylamino]butanoate IUPAC Name: (2S,3S)-3-hydroxy-2-[(4-nitrophenyl)methylsulfonylamino]butanoate Traditional Name: (2S,3S)-3-hydroxy-2-[(4-nitrobenzyl)sulfonylamino]butyrate Formula: C11H13N2O7S- MolecularWeight: 317.29512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])NS(=O)(=O)CC1=CC=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)[O-])NS(=O)(=O)CC1=CC=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C11H14N2O7S/c1-7(14)10(11(15)16)12-21(19,20)6-8-2-4-9(5-3-8)13(17)18/h2-5,7,10,12,14H,6H2,1H3,(H,15,16)/p-1/t7-,10-/m0/s1