sodium 2-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]ethanesulfonate

Systemtic Name: sodium 2-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]ethanesulfonate Openeye Name: sodium 2-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]ethanesulfonate CAS Name: sodium 2-[[2-(mercaptomethyl)-4-methyl-1-oxopentyl]amino]ethanesulfonate IUPAC Name: sodium 2-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]ethanesulfonate Traditional Name: sodium 2-[[2-(mercaptomethyl)-4-methyl-pentanoyl]amino]ethanesulfonate Formula: C9H18NNaO4S2 MolecularWeight: 291.36329

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H19NO4S2.Na/c1-7(2)5-8(6-15)9(11)10-3-4-16(12,13)14;/h7-8,15H,3-6H2,1-2H3,(H,10,11)(H,12,13,14);/q;+1/p-1