(2S)-3-methyl-2-[(3-nitrophenyl)sulfonylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[(3-nitrophenyl)sulfonylamino]butanoate Openeye Name: (2S)-3-methyl-2-[(3-nitrophenyl)sulfonylamino]butanoate CAS Name: (2S)-3-methyl-2-[(3-nitrophenyl)sulfonylamino]butanoate IUPAC Name: (2S)-3-methyl-2-[(3-nitrophenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-[(3-nitrophenyl)sulfonylamino]butyrate Formula: C11H13N2O6S- MolecularWeight: 301.29572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O6S/c1-7(2)10(11(14)15)12-20(18,19)9-5-3-4-8(6-9)13(16)17/h3-7,10,12H,1-2H3,(H,14,15)/p-1/t10-/m0/s1