(2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-pentanoic acid

Systemtic Name: (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-pentanoic acid Openeye Name: (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-pentanoic acid CAS Name: (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methylpentanoic acid IUPAC Name: (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methylpentanoic acid Traditional Name: (2S)-3-methyl-2-(piazthiol-4-ylsulfonylamino)valeric acid Formula: C12H15N3O4S2 MolecularWeight: 329.3952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NS(=O)(=O)C1=CC=CC2=NSN=C21

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O4S2/c1-3-7(2)10(12(16)17)15-21(18,19)9-6-4-5-8-11(9)14-20-13-8/h4-7,10,15H,3H2,1-2H3,(H,16,17)/t7?,10-/m0/s1