3-[6-(dimethylsulfamoyl)-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[6-(dimethylsulfamoyl)-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[6-(dimethylsulfamoyl)-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl]propane-1-sulfonate CAS Name: 3-[6-(dimethylsulfamoyl)-3-ethyl-2-methyl-1-benzimidazol-3-iumyl]-1-propanesulfonate IUPAC Name: 3-[6-(dimethylsulfamoyl)-3-ethyl-2-methylbenzimidazol-3-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[6-(dimethylsulfamoyl)-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl]propane-1-sulfonate Formula: C15H23N3O5S2 MolecularWeight: 389.49022

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)S(=O)(=O)N(C)C)CCCS(=O)(=O)[O-])C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)S(=O)(=O)N(C)C)CCCS(=O)(=O)[O-])C

InChI

InChI=1S/C15H23N3O5S2/c1-5-17-12(2)18(9-6-10-24(19,20)21)15-11-13(7-8-14(15)17)25(22,23)16(3)4/h7-8,11H,5-6,9-10H2,1-4H3