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

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,4-difluorophenyl)-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,4-difluorophenyl)-2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,4-difluorophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2,4-difluorophenyl)-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C22H22F2N3O3S+ MolecularWeight: 446.490186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)F)F)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)F)F)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H21F2N3O3S/c23-18-6-8-21(20(24)14-18)25-22(28)15-26-9-11-27(12-10-26)31(29,30)19-7-5-16-3-1-2-4-17(16)13-19/h1-8,13-14H,9-12,15H2,(H,25,28)/p+1