2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(4-chlorophenyl)methyl]-4-methylsulfonyl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(4-chlorophenyl)methyl]-4-methylsulfonyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(4-chlorophenyl)methyl]-4-methylsulfonyl-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-[(4-chlorophenyl)methyl]-4-methylsulfonyl-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(4-chlorobenzyl)-1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-mesyl-piperazin-1-ium-2-yl]acetamide Formula: C21H24Cl2N7O3S+ MolecularWeight: 525.43136

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC=C(C=C2)Cl)C3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

CS(=O)(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC=C(C=C2)Cl)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C21H23Cl2N7O3S/c1-34(32,33)29-8-9-30(17(12-29)10-19(24)31,13-15-2-4-16(22)5-3-15)20-11-18(23)26-21(27-20)28-7-6-25-14-28/h2-7,11,14,17H,8-10,12-13H2,1H3,(H-,24,31)/p+1