2-(heptanethioylamino)-2-methyl-propane-1-sulfonic acid

Systemtic Name: 2-(heptanethioylamino)-2-methyl-propane-1-sulfonic acid Openeye Name: 2-(heptanethioylamino)-2-methyl-propane-1-sulfonic acid CAS Name: 2-methyl-2-(1-sulfanylideneheptylamino)-1-propanesulfonic acid IUPAC Name: 2-(heptanethioylamino)-2-methylpropane-1-sulfonic acid Traditional Name: 2-(heptanethioylamino)-2-methyl-propane-1-sulfonic acid Formula: C11H23NO3S2 MolecularWeight: 281.43522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=S)NC(C)(C)CS(=O)(=O)O

Isomeric SMILES

CCCCCCC(=S)NC(C)(C)CS(=O)(=O)O

InChI

InChI=1S/C11H23NO3S2/c1-4-5-6-7-8-10(16)12-11(2,3)9-17(13,14)15/h4-9H2,1-3H3,(H,12,16)(H,13,14,15)