(2S)-3-(1H-imidazol-5-yl)-2-[(4-nitrophenyl)sulfonylamino]propanoate

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-[(4-nitrophenyl)sulfonylamino]propanoate Openeye Name: (2S)-3-(1H-imidazol-5-yl)-2-[(4-nitrophenyl)sulfonylamino]propanoate CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[(4-nitrophenyl)sulfonylamino]propanoate IUPAC Name: (2S)-3-(1H-imidazol-5-yl)-2-[(4-nitrophenyl)sulfonylamino]propanoate Traditional Name: (2S)-3-(1H-imidazol-5-yl)-2-(nosylamino)propionate Formula: C12H11N4O6S- MolecularWeight: 339.30394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NC(CC2=CN=CN2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)N[C@@H](CC2=CN=CN2)C(=O)[O-]

InChI

InChI=1S/C12H12N4O6S/c17-12(18)11(5-8-6-13-7-14-8)15-23(21,22)10-3-1-9(2-4-10)16(19)20/h1-4,6-7,11,15H,5H2,(H,13,14)(H,17,18)/p-1/t11-/m0/s1