methyl 2-[2-(thiophen-2-ylsulfonylamino)ethanoylamino]hexanoate

Systemtic Name: methyl 2-[2-(thiophen-2-ylsulfonylamino)ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-(2-thienylsulfonylamino)acetyl]amino]hexanoate CAS Name: 2-[[1-oxo-2-(thiophen-2-ylsulfonylamino)ethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]hexanoate Traditional Name: 2-[[2-(2-thienylsulfonylamino)acetyl]amino]hexanoic acid methyl ester Formula: C13H20N2O5S2 MolecularWeight: 348.4383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)CNS(=O)(=O)C1=CC=CS1

Isomeric SMILES

CCCCC(C(=O)OC)NC(=O)CNS(=O)(=O)C1=CC=CS1

InChI

InChI=1S/C13H20N2O5S2/c1-3-4-6-10(13(17)20-2)15-11(16)9-14-22(18,19)12-7-5-8-21-12/h5,7-8,10,14H,3-4,6,9H2,1-2H3,(H,15,16)