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

Systemtic Name: (2S)-2-[(4-fluoranyl-2-nitro-phenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[(4-fluoro-2-nitro-phenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-fluoro-2-nitrophenyl)sulfonylamino]-3-methylbutanoate IUPAC Name: (2S)-2-[(4-fluoro-2-nitrophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-fluoro-2-nitro-phenyl)sulfonylamino]-3-methyl-butyrate Formula: C11H12FN2O6S- MolecularWeight: 319.286183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13FN2O6S/c1-6(2)10(11(15)16)13-21(19,20)9-4-3-7(12)5-8(9)14(17)18/h3-6,10,13H,1-2H3,(H,15,16)/p-1/t10-/m0/s1