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

Systemtic Name: (2S)-3-methyl-2-[(4-nitrophenyl)methylsulfonylamino]butanoate Openeye Name: (2S)-3-methyl-2-[(4-nitrophenyl)methylsulfonylamino]butanoate CAS Name: (2S)-3-methyl-2-[(4-nitrophenyl)methylsulfonylamino]butanoate IUPAC Name: (2S)-3-methyl-2-[(4-nitrophenyl)methylsulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-[(4-nitrobenzyl)sulfonylamino]butyrate Formula: C12H15N2O6S- MolecularWeight: 315.3223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O6S/c1-8(2)11(12(15)16)13-21(19,20)7-9-3-5-10(6-4-9)14(17)18/h3-6,8,11,13H,7H2,1-2H3,(H,15,16)/p-1/t11-/m0/s1