3-(2-methylsulfanyloxybenzimidazol-1-yl)propane-1-sulfonic acid

Systemtic Name: 3-(2-methylsulfanyloxybenzimidazol-1-yl)propane-1-sulfonic acid Openeye Name: 3-(2-methylsulfanyloxybenzimidazol-1-yl)propane-1-sulfonic acid CAS Name: 3-[2-(methylthio)oxy-1-benzimidazolyl]-1-propanesulfonic acid IUPAC Name: 3-(2-methylsulfanyloxybenzimidazol-1-yl)propane-1-sulfonic acid Traditional Name: 3-[2-(methylthio)oxybenzimidazol-1-yl]propane-1-sulfonic acid Formula: C11H14N2O4S2 MolecularWeight: 302.36986

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Descriptors Computed from Structure

Canonical SMILES:

CSOC1=NC2=CC=CC=C2N1CCCS(=O)(=O)O

Isomeric SMILES

CSOC1=NC2=CC=CC=C2N1CCCS(=O)(=O)O

InChI

InChI=1S/C11H14N2O4S2/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)