3-(1H-benzimidazol-2-ylmethylsulfanyl)propane-1-sulfonic acid

Systemtic Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)propane-1-sulfonic acid Openeye Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)propane-1-sulfonic acid CAS Name: 3-(1H-benzimidazol-2-ylmethylthio)-1-propanesulfonic acid IUPAC Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)propane-1-sulfonic acid Traditional Name: 3-(1H-benzimidazol-2-ylmethylthio)propane-1-sulfonic acid Formula: C11H14N2O3S2 MolecularWeight: 286.37046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O3S2/c14-18(15,16)7-3-6-17-8-11-12-9-4-1-2-5-10(9)13-11/h1-2,4-5H,3,6-8H2,(H,12,13)(H,14,15,16)