sodium 4-ethanoylsulfanyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butane-1-sulfonate

Systemtic Name: sodium 4-ethanoylsulfanyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butane-1-sulfonate Openeye Name: sodium 4-acetylsulfanyl-3-(tert-butoxycarbonylamino)butane-1-sulfonate CAS Name: sodium 4-(acetylthio)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-butanesulfonate IUPAC Name: sodium 4-acetylsulfanyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butane-1-sulfonate Traditional Name: sodium 4-(acetylthio)-3-(tert-butoxycarbonylamino)butane-1-sulfonate Formula: C11H20NNaO6S2 MolecularWeight: 349.39937

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H21NO6S2.Na/c1-8(13)19-7-9(5-6-20(15,16)17)12-10(14)18-11(2,3)4;/h9H,5-7H2,1-4H3,(H,12,14)(H,15,16,17);/q;+1/p-1