[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl-ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]azanium

Systemtic Name: [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl-ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]azanium Openeye Name: [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl-ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]ammonium CAS Name: [5-(dimethylsulfamoyl)-1-ethyl-2-benzimidazolyl]methyl-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]ammonium IUPAC Name: [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium Traditional Name: [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl-ethyl-(3-fluoro-4-methoxy-benzyl)ammonium Formula: C22H30FN4O3S+ MolecularWeight: 449.562003

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+](CC)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+](CC)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C22H29FN4O3S/c1-6-26(14-16-8-11-21(30-5)18(23)12-16)15-22-24-19-13-17(31(28,29)25(3)4)9-10-20(19)27(22)7-2/h8-13H,6-7,14-15H2,1-5H3/p+1