3,3-dimethyl-2-[(4-nitrophenyl)sulfonylamino]butanoic acid

Systemtic Name: 3,3-dimethyl-2-[(4-nitrophenyl)sulfonylamino]butanoic acid Openeye Name: 3,3-dimethyl-2-[(4-nitrophenyl)sulfonylamino]butanoic acid CAS Name: 3,3-dimethyl-2-[(4-nitrophenyl)sulfonylamino]butanoic acid IUPAC Name: 3,3-dimethyl-2-[(4-nitrophenyl)sulfonylamino]butanoic acid Traditional Name: 3,3-dimethyl-2-(nosylamino)butyric acid Formula: C12H16N2O6S MolecularWeight: 316.33024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O6S/c1-12(2,3)10(11(15)16)13-21(19,20)9-6-4-8(5-7-9)14(17)18/h4-7,10,13H,1-3H3,(H,15,16)