(2S)-2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-3-methyl-butanoic acid

Systemtic Name: (2S)-2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-3-methyl-butanoic acid Openeye Name: (2S)-2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-3-methyl-butanoic acid CAS Name: (2S)-2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-3-methylbutanoic acid IUPAC Name: (2S)-2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-3-methylbutanoic acid Traditional Name: (2S)-2-(benzofurazan-4-ylsulfonylamino)-3-methyl-butyric acid Formula: C11H13N3O5S MolecularWeight: 299.30302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=CC2=NON=C21

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC=CC2=NON=C21

InChI

InChI=1S/C11H13N3O5S/c1-6(2)9(11(15)16)14-20(17,18)8-5-3-4-7-10(8)13-19-12-7/h3-6,9,14H,1-2H3,(H,15,16)/t9-/m0/s1