2-[4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-hexyl-ethanamide

Systemtic Name: 2-[4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-hexyl-ethanamide Openeye Name: 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-hexyl-acetamide CAS Name: 2-[4-(2,5-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-hexylacetamide IUPAC Name: 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-hexylacetamide Traditional Name: 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-hexyl-acetamide Formula: C18H28F2N3O3S+ MolecularWeight: 404.495026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)F)F

Isomeric SMILES

CCCCCCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)F)F

InChI

InChI=1S/C18H27F2N3O3S/c1-2-3-4-5-8-21-18(24)14-22-9-11-23(12-10-22)27(25,26)17-13-15(19)6-7-16(17)20/h6-7,13H,2-5,8-12,14H2,1H3,(H,21,24)/p+1