4-[bis(4-fluorophenyl)methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide

Systemtic Name: 4-[bis(4-fluorophenyl)methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide Openeye Name: 4-[bis(4-fluorophenyl)methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide CAS Name: 4-[bis(4-fluorophenyl)methyl]-N,N-diethyl-1-piperazin-4-iumsulfonamide IUPAC Name: 4-[bis(4-fluorophenyl)methyl]-N,N-diethylpiperazin-4-ium-1-sulfonamide Traditional Name: 4-[bis(4-fluorophenyl)methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide Formula: C21H28F2N3O2S+ MolecularWeight: 424.527726

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H27F2N3O2S/c1-3-25(4-2)29(27,28)26-15-13-24(14-16-26)21(17-5-9-19(22)10-6-17)18-7-11-20(23)12-8-18/h5-12,21H,3-4,13-16H2,1-2H3/p+1