(2S)-3-methylsulfanyl-2-[(4-nitrophenyl)sulfonylamino]propanoic acid

Systemtic Name: (2S)-3-methylsulfanyl-2-[(4-nitrophenyl)sulfonylamino]propanoic acid Openeye Name: (2S)-3-methylsulfanyl-2-[(4-nitrophenyl)sulfonylamino]propanoic acid CAS Name: (2S)-3-(methylthio)-2-[(4-nitrophenyl)sulfonylamino]propanoic acid IUPAC Name: (2S)-3-methylsulfanyl-2-[(4-nitrophenyl)sulfonylamino]propanoic acid Traditional Name: (2S)-3-(methylthio)-2-(nosylamino)propionic acid Formula: C10H12N2O6S2 MolecularWeight: 320.34208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O6S2/c1-19-6-9(10(13)14)11-20(17,18)8-4-2-7(3-5-8)12(15)16/h2-5,9,11H,6H2,1H3,(H,13,14)/t9-/m1/s1