methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methyl-pentanoate

Systemtic Name: methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methyl-pentanoate Openeye Name: methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methyl-pentanoate CAS Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methylpentanoate Traditional Name: 4-methyl-2-(piazthiol-4-ylsulfonylamino)valeric acid methyl ester Formula: C13H17N3O4S2 MolecularWeight: 343.42178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4S2/c1-8(2)7-10(13(17)20-3)16-22(18,19)11-6-4-5-9-12(11)15-21-14-9/h4-6,8,10,16H,7H2,1-3H3