(2S)-2-[(2-methyl-5-nitro-phenyl)sulfonylamino]propanoic acid

Systemtic Name: (2S)-2-[(2-methyl-5-nitro-phenyl)sulfonylamino]propanoic acid Openeye Name: (2S)-2-[(2-methyl-5-nitro-phenyl)sulfonylamino]propanoic acid CAS Name: (2S)-2-[(2-methyl-5-nitrophenyl)sulfonylamino]propanoic acid IUPAC Name: (2S)-2-[(2-methyl-5-nitrophenyl)sulfonylamino]propanoic acid Traditional Name: (2S)-2-[(2-methyl-5-nitro-phenyl)sulfonylamino]propionic acid Formula: C10H12N2O6S MolecularWeight: 288.27708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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