[2-(cyclohexylamino)-2-oxidanylidene-ethyl] (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-(methylthio)butanoic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(piazthiol-4-ylsulfonylamino)butyric acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C19H26N4O5S3 MolecularWeight: 486.62854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1CCCCC1)NS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CSCC[C@@H](C(=O)OCC(=O)NC1CCCCC1)NS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C19H26N4O5S3/c1-29-11-10-15(19(25)28-12-17(24)20-13-6-3-2-4-7-13)23-31(26,27)16-9-5-8-14-18(16)22-30-21-14/h5,8-9,13,15,23H,2-4,6-7,10-12H2,1H3,(H,20,24)/t15-/m0/s1