tert-butyl N-[[(2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-butanoyl]amino]carbamate

Systemtic Name: tert-butyl N-[[(2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-butanoyl]amino]carbamate Openeye Name: tert-butyl N-[[(2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-butanoyl]amino]carbamate CAS Name: N-[[(2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-1-oxobutyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[(2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methylbutanoyl]amino]carbamate Traditional Name: N-[[(2S)-3-methyl-2-(piazthiol-4-ylsulfonylamino)butanoyl]amino]carbamic acid tert-butyl ester Formula: C16H23N5O5S2 MolecularWeight: 429.51432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O5S2/c1-9(2)12(14(22)17-18-15(23)26-16(3,4)5)21-28(24,25)11-8-6-7-10-13(11)20-27-19-10/h6-9,12,21H,1-5H3,(H,17,22)(H,18,23)/t12-/m0/s1