2-(3-hexadecylsulfanylpropanoylamino)-2-methyl-propane-1-sulfonate

Systemtic Name: 2-(3-hexadecylsulfanylpropanoylamino)-2-methyl-propane-1-sulfonate Openeye Name: 2-(3-hexadecylsulfanylpropanoylamino)-2-methyl-propane-1-sulfonate CAS Name: 2-[[3-(hexadecylthio)-1-oxopropyl]amino]-2-methyl-1-propanesulfonate IUPAC Name: 2-(3-hexadecylsulfanylpropanoylamino)-2-methylpropane-1-sulfonate Traditional Name: 2-[3-(cetylthio)propanoylamino]-2-methyl-propane-1-sulfonate Formula: C23H46NO4S2- MolecularWeight: 464.74564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCCC(=O)NC(C)(C)CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSCCC(=O)NC(C)(C)CS(=O)(=O)[O-]

InChI

InChI=1S/C23H47NO4S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-29-20-18-22(25)24-23(2,3)21-30(26,27)28/h4-21H2,1-3H3,(H,24,25)(H,26,27,28)/p-1