4-(1H-benzimidazol-2-ylsulfanyl)butane-2-sulfonic acid

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)butane-2-sulfonic acid Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)butane-2-sulfonic acid CAS Name: 4-(1H-benzimidazol-2-ylthio)-2-butanesulfonic acid IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)butane-2-sulfonic acid Traditional Name: 4-(1H-benzimidazol-2-ylthio)butane-2-sulfonic acid Formula: C11H14N2O3S2 MolecularWeight: 286.37046

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCSC1=NC2=CC=CC=C2N1)S(=O)(=O)O

Isomeric SMILES

CC(CCSC1=NC2=CC=CC=C2N1)S(=O)(=O)O

InChI

InChI=1S/C11H14N2O3S2/c1-8(18(14,15)16)6-7-17-11-12-9-4-2-3-5-10(9)13-11/h2-5,8H,6-7H2,1H3,(H,12,13)(H,14,15,16)