(2S)-2-[(4-methyl-3-nitro-phenyl)sulfonylamino]propanoate

Systemtic Name: (2S)-2-[(4-methyl-3-nitro-phenyl)sulfonylamino]propanoate Openeye Name: (2S)-2-[(4-methyl-3-nitro-phenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-methyl-3-nitrophenyl)sulfonylamino]propanoate IUPAC Name: (2S)-2-[(4-methyl-3-nitrophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-methyl-3-nitro-phenyl)sulfonylamino]propionate Formula: C10H11N2O6S- MolecularWeight: 287.26914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC(C)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O6S/c1-6-3-4-8(5-9(6)12(15)16)19(17,18)11-7(2)10(13)14/h3-5,7,11H,1-2H3,(H,13,14)/p-1/t7-/m0/s1