sodium 2-(2-dimethylaminoethylsulfanylmethyl)-3H-benzimidazole-5-sulfonic acid

Systemtic Name: sodium 2-(2-dimethylaminoethylsulfanylmethyl)-3H-benzimidazole-5-sulfonic acid Openeye Name: sodium 2-(2-dimethylaminoethylsulfanylmethyl)-3H-benzimidazole-5-sulfonic acid CAS Name: sodium 2-[(2-dimethylaminoethylthio)methyl]-3H-benzimidazole-5-sulfonic acid IUPAC Name: sodium 2-(2-dimethylaminoethylsulfanylmethyl)-3H-benzimidazole-5-sulfonic acid Traditional Name: sodium 2-[(2-dimethylaminoethylthio)methyl]-3H-benzimidazole-5-sulfonic acid Formula: C12H17N3NaO3S2+ MolecularWeight: 338.40145

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSCC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O.[Na+]

Isomeric SMILES

CN(C)CCSCC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C12H17N3O3S2.Na/c1-15(2)5-6-19-8-12-13-10-4-3-9(20(16,17)18)7-11(10)14-12;/h3-4,7H,5-6,8H2,1-2H3,(H,13,14)(H,16,17,18);/q;+1