2-[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-(2,6-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C18H20F2N3O3S+ MolecularWeight: 396.431506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C18H19F2N3O3S/c19-15-7-4-8-16(20)18(15)27(25,26)23-11-9-22(10-12-23)13-17(24)21-14-5-2-1-3-6-14/h1-8H,9-13H2,(H,21,24)/p+1