[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl-methyl-[(2-methylphenyl)methyl]azanium

Systemtic Name: [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl-methyl-[(2-methylphenyl)methyl]azanium Openeye Name: [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl-methyl-(o-tolylmethyl)ammonium CAS Name: [5-(dimethylsulfamoyl)-1-ethyl-2-benzimidazolyl]methyl-methyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl-methyl-[(2-methylphenyl)methyl]azanium Traditional Name: [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl-methyl-(2-methylbenzyl)ammonium Formula: C21H29N4O2S+ MolecularWeight: 401.54556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+](C)CC3=CC=CC=C3C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+](C)CC3=CC=CC=C3C

InChI

InChI=1S/C21H28N4O2S/c1-6-25-20-12-11-18(28(26,27)23(3)4)13-19(20)22-21(25)15-24(5)14-17-10-8-7-9-16(17)2/h7-13H,6,14-15H2,1-5H3/p+1