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

Systemtic Name: 3-[3-(1H-benzimidazol-2-yl)propylsulfanyl]propane-1-sulfonic acid Openeye Name: 3-[3-(1H-benzimidazol-2-yl)propylsulfanyl]propane-1-sulfonic acid CAS Name: 3-[3-(1H-benzimidazol-2-yl)propylthio]-1-propanesulfonic acid IUPAC Name: 3-[3-(1H-benzimidazol-2-yl)propylsulfanyl]propane-1-sulfonic acid Traditional Name: 3-[3-(1H-benzimidazol-2-yl)propylthio]propane-1-sulfonic acid Formula: C13H18N2O3S2 MolecularWeight: 314.42362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3S2/c16-20(17,18)10-4-9-19-8-3-7-13-14-11-5-1-2-6-12(11)15-13/h1-2,5-6H,3-4,7-10H2,(H,14,15)(H,16,17,18)