sodium 3-(2-methylsulfanyloxybenzimidazol-1-yl)propane-1-sulfonate

Systemtic Name: sodium 3-(2-methylsulfanyloxybenzimidazol-1-yl)propane-1-sulfonate Openeye Name: sodium 3-(2-methylsulfanyloxybenzimidazol-1-yl)propane-1-sulfonate CAS Name: sodium 3-[2-(methylthio)oxy-1-benzimidazolyl]-1-propanesulfonate IUPAC Name: sodium 3-(2-methylsulfanyloxybenzimidazol-1-yl)propane-1-sulfonate Traditional Name: sodium 3-[2-(methylthio)oxybenzimidazol-1-yl]propane-1-sulfonate Formula: C11H13N2NaO4S2 MolecularWeight: 324.35169

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Descriptors Computed from Structure

Canonical SMILES:

CSOC1=NC2=CC=CC=C2N1CCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CSOC1=NC2=CC=CC=C2N1CCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C11H14N2O4S2.Na/c1-18-17-11-12-9-5-2-3-6-10(9)13(11)7-4-8-19(14,15)16;/h2-3,5-6H,4,7-8H2,1H3,(H,14,15,16);/q;+1/p-1