2-[1-(4-fluorophenyl)sulfonyl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-octylsulfonyl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(4-fluorophenyl)sulfonyl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-octylsulfonyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(4-fluorophenyl)sulfonyl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-octylsulfonyl-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-(4-fluorophenyl)sulfonyl-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-octylsulfonyl-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(4-fluorophenyl)sulfonyl-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-octylsulfonylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(4-fluorophenyl)sulfonyl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-octylsulfonyl-piperazin-1-ium-2-yl]acetamide Formula: C28H39FN7O5S2+ MolecularWeight: 636.781563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38FN7O5S2/c1-3-4-5-6-7-8-17-42(38,39)36(43(40,41)25-11-9-23(29)10-12-25)16-15-34(20-24(36)19-26(30)37)27-18-22(2)32-28(33-27)35-14-13-31-21-35/h9-14,18,21,24H,3-8,15-17,19-20H2,1-2H3,(H-,30,37)/p+1