sodium 2-[3-(4-methoxy-6-oxidanylidene-heptyl)sulfanylpropanoylamino]-2-methyl-propane-1-sulfonate

Systemtic Name: sodium 2-[3-(4-methoxy-6-oxidanylidene-heptyl)sulfanylpropanoylamino]-2-methyl-propane-1-sulfonate Openeye Name: sodium 2-[3-(4-methoxy-6-oxo-heptyl)sulfanylpropanoylamino]-2-methyl-propane-1-sulfonate CAS Name: sodium 2-[[3-[(4-methoxy-6-oxoheptyl)thio]-1-oxopropyl]amino]-2-methyl-1-propanesulfonate IUPAC Name: sodium 2-[3-(4-methoxy-6-oxoheptyl)sulfanylpropanoylamino]-2-methylpropane-1-sulfonate Traditional Name: sodium 2-[3-[(6-keto-4-methoxy-heptyl)thio]propanoylamino]-2-methyl-propane-1-sulfonate Formula: C15H28NNaO6S2 MolecularWeight: 405.50569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29NO6S2.Na/c1-12(17)10-13(22-4)6-5-8-23-9-7-14(18)16-15(2,3)11-24(19,20)21;/h13H,5-11H2,1-4H3,(H,16,18)(H,19,20,21);/q;+1/p-1