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

Systemtic Name: (2S)-2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-4-methyl-pentanoate Openeye Name: (2S)-2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-4-methyl-pentanoate CAS Name: (2S)-2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-4-methylpentanoate IUPAC Name: (2S)-2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-4-methylpentanoate Traditional Name: (2S)-2-(benzofurazan-4-ylsulfonylamino)-4-methyl-valerate Formula: C12H14N3O5S- MolecularWeight: 312.32166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O5S/c1-7(2)6-9(12(16)17)15-21(18,19)10-5-3-4-8-11(10)14-20-13-8/h3-5,7,9,15H,6H2,1-2H3,(H,16,17)/p-1/t9-/m0/s1