(2S)-2-[(3,4-dimethyl-5-nitro-phenyl)sulfonylamino]propanoate

Systemtic Name: (2S)-2-[(3,4-dimethyl-5-nitro-phenyl)sulfonylamino]propanoate Openeye Name: (2S)-2-[(3,4-dimethyl-5-nitro-phenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]propanoate IUPAC Name: (2S)-2-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(3,4-dimethyl-5-nitro-phenyl)sulfonylamino]propionate Formula: C11H13N2O6S- MolecularWeight: 301.29572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)NC(C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)N[C@@H](C)C(=O)[O-]

InChI

InChI=1S/C11H14N2O6S/c1-6-4-9(5-10(7(6)2)13(16)17)20(18,19)12-8(3)11(14)15/h4-5,8,12H,1-3H3,(H,14,15)/p-1/t8-/m0/s1