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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH2+]C(C)C3=CC=CC=C3C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH2+][C@H](C)C3=CC=CC=C3C

InChI

InChI=1S/C21H28N4O2S/c1-6-25-20-12-11-17(28(26,27)24(4)5)13-19(20)23-21(25)14-22-16(3)18-10-8-7-9-15(18)2/h7-13,16,22H,6,14H2,1-5H3/p+1/t16-/m1/s1