sodium 4-(benzimidazol-1-yl)butane-1-sulfonate

Systemtic Name: sodium 4-(benzimidazol-1-yl)butane-1-sulfonate Openeye Name: sodium 4-(benzimidazol-1-yl)butane-1-sulfonate CAS Name: sodium 4-(1-benzimidazolyl)-1-butanesulfonate IUPAC Name: sodium 4-(benzimidazol-1-yl)butane-1-sulfonate Traditional Name: sodium 4-(benzimidazol-1-yl)butane-1-sulfonate Formula: C11H13N2NaO3S MolecularWeight: 276.28729

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2CCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2CCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C11H14N2O3S.Na/c14-17(15,16)8-4-3-7-13-9-12-10-5-1-2-6-11(10)13;/h1-2,5-6,9H,3-4,7-8H2,(H,14,15,16);/q;+1/p-1