2-[1-ethanoyl-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methylsulfonylphenyl)methyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-ethanoyl-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methylsulfonylphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-acetyl-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methylsulfonylphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-acetyl-4-[2-(1-imidazolyl)-4-pyrimidinyl]-1-[(4-methylsulfonylphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-acetyl-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methylsulfonylphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-acetyl-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(4-mesylbenzyl)piperazin-1-ium-2-yl]acetamide Formula: C23H28N7O4S+ MolecularWeight: 498.57792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+]1(CCN(CC1CC(=O)N)C2=NC(=NC=C2)N3C=CN=C3)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(=O)[N+]1(CCN(CC1CC(=O)N)C2=NC(=NC=C2)N3C=CN=C3)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C23H27N7O4S/c1-17(31)30(15-18-3-5-20(6-4-18)35(2,33)34)12-11-28(14-19(30)13-21(24)32)22-7-8-26-23(27-22)29-10-9-25-16-29/h3-10,16,19H,11-15H2,1-2H3,(H-,24,32)/p+1