1-[2,6-bis(fluoranyl)phenyl]sulfonyl-4-[(4-imidazol-1-ylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[2,6-bis(fluoranyl)phenyl]sulfonyl-4-[(4-imidazol-1-ylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,6-difluorophenyl)sulfonyl-4-[(4-imidazol-1-ylphenyl)methyl]piperazin-4-ium CAS Name: 1-(2,6-difluorophenyl)sulfonyl-4-[[4-(1-imidazolyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(2,6-difluorophenyl)sulfonyl-4-[(4-imidazol-1-ylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,6-difluorophenyl)sulfonyl-4-(4-imidazol-1-ylbenzyl)piperazin-4-ium Formula: C20H21F2N4O2S+ MolecularWeight: 419.468146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)N3C=CN=C3)S(=O)(=O)C4=C(C=CC=C4F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)N3C=CN=C3)S(=O)(=O)C4=C(C=CC=C4F)F

InChI

InChI=1S/C20H20F2N4O2S/c21-18-2-1-3-19(22)20(18)29(27,28)26-12-10-24(11-13-26)14-16-4-6-17(7-5-16)25-9-8-23-15-25/h1-9,15H,10-14H2/p+1