3-[2-(1H-benzimidazol-2-yl)ethylsulfanyl]propane-1-sulfonic acid

Systemtic Name: 3-[2-(1H-benzimidazol-2-yl)ethylsulfanyl]propane-1-sulfonic acid Openeye Name: 3-[2-(1H-benzimidazol-2-yl)ethylsulfanyl]propane-1-sulfonic acid CAS Name: 3-[2-(1H-benzimidazol-2-yl)ethylthio]-1-propanesulfonic acid IUPAC Name: 3-[2-(1H-benzimidazol-2-yl)ethylsulfanyl]propane-1-sulfonic acid Traditional Name: 3-[2-(1H-benzimidazol-2-yl)ethylthio]propane-1-sulfonic acid Formula: C12H16N2O3S2 MolecularWeight: 300.39704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CCSCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CCSCCCS(=O)(=O)O

InChI

InChI=1S/C12H16N2O3S2/c15-19(16,17)9-3-7-18-8-6-12-13-10-4-1-2-5-11(10)14-12/h1-2,4-5H,3,6-9H2,(H,13,14)(H,15,16,17)