[(1S)-2-[3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[3-[5-(dimethylsulfamoyl)-1-methyl-2-benzimidazolyl]-1-oxopropyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoylamino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C23H32N5O3S+ MolecularWeight: 458.59688

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)NCC(C3=CC=CC=C3)[NH+](C)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)NC[C@H](C3=CC=CC=C3)[NH+](C)C

InChI

InChI=1S/C23H31N5O3S/c1-26(2)21(17-9-7-6-8-10-17)16-24-23(29)14-13-22-25-19-15-18(32(30,31)27(3)4)11-12-20(19)28(22)5/h6-12,15,21H,13-14,16H2,1-5H3,(H,24,29)/p+1/t21-/m1/s1