sodium 2-methyl-2-(3-sulfanylpropanoylamino)propane-1-sulfonate

Systemtic Name: sodium 2-methyl-2-(3-sulfanylpropanoylamino)propane-1-sulfonate Openeye Name: sodium 2-methyl-2-(3-sulfanylpropanoylamino)propane-1-sulfonate CAS Name: sodium 2-[(3-mercapto-1-oxopropyl)amino]-2-methyl-1-propanesulfonate IUPAC Name: sodium 2-methyl-2-(3-sulfanylpropanoylamino)propane-1-sulfonate Traditional Name: sodium 2-(3-mercaptopropanoylamino)-2-methyl-propane-1-sulfonate Formula: C7H14NNaO4S2 MolecularWeight: 263.31013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS(=O)(=O)[O-])NC(=O)CCS.[Na+]

Isomeric SMILES

CC(C)(CS(=O)(=O)[O-])NC(=O)CCS.[Na+]

InChI

InChI=1S/C7H15NO4S2.Na/c1-7(2,5-14(10,11)12)8-6(9)3-4-13;/h13H,3-5H2,1-2H3,(H,8,9)(H,10,11,12);/q;+1/p-1