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

Systemtic Name: 2-[4-[2,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-(2,4-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(2,4-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=C(C=C3)F)F

Isomeric SMILES

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

InChI

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