(2S)-4-methylsulfonyl-2-(thiophen-2-ylsulfonylamino)butanoate

Systemtic Name: (2S)-4-methylsulfonyl-2-(thiophen-2-ylsulfonylamino)butanoate Openeye Name: (2S)-4-methylsulfonyl-2-(2-thienylsulfonylamino)butanoate CAS Name: (2S)-4-methylsulfonyl-2-(thiophen-2-ylsulfonylamino)butanoate IUPAC Name: (2S)-4-methylsulfonyl-2-(thiophen-2-ylsulfonylamino)butanoate Traditional Name: (2S)-4-mesyl-2-(2-thienylsulfonylamino)butyrate Formula: C9H12NO6S3- MolecularWeight: 326.38968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NS(=O)(=O)C1=CC=CS1

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NS(=O)(=O)C1=CC=CS1

InChI

InChI=1S/C9H13NO6S3/c1-18(13,14)6-4-7(9(11)12)10-19(15,16)8-3-2-5-17-8/h2-3,5,7,10H,4,6H2,1H3,(H,11,12)/p-1/t7-/m0/s1