4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethoxy]benzenesulfonamide

Systemtic Name: 4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethoxy]benzenesulfonamide Openeye Name: 4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethoxy]benzenesulfonamide CAS Name: 4-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]ethoxy]benzenesulfonamide IUPAC Name: 4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethoxy]benzenesulfonamide Traditional Name: 4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethoxy]benzenesulfonamide Formula: C19H23F3N3O3S+ MolecularWeight: 430.46443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H22F3N3O3S/c20-19(21,22)15-2-1-3-16(14-15)25-10-8-24(9-11-25)12-13-28-17-4-6-18(7-5-17)29(23,26)27/h1-7,14H,8-13H2,(H2,23,26,27)/p+1