2-[4-(dimethylsulfamoyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[4-(dimethylsulfamoyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-(dimethylsulfamoyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-(dimethylsulfamoyl)-1-[2-(1-imidazolyl)-4-pyrimidinyl]-1-[(4-methoxyphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(dimethylsulfamoyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-(dimethylsulfamoyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)-1-p-anisyl-piperazin-1-ium-2-yl]acetamide Formula: C23H31N8O4S+ MolecularWeight: 515.60844

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC=C(C=C2)OC)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

CN(C)S(=O)(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC=C(C=C2)OC)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C23H30N8O4S/c1-28(2)36(33,34)30-12-13-31(19(15-30)14-21(24)32,16-18-4-6-20(35-3)7-5-18)22-8-9-26-23(27-22)29-11-10-25-17-29/h4-11,17,19H,12-16H2,1-3H3,(H-,24,32)/p+1