4-chloranyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide Openeye Name: 4-chloro-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide CAS Name: 4-chloro-N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide Traditional Name: 4-chloro-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide Formula: C19H22ClF3N3O2S+ MolecularWeight: 448.91009

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=C(C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=C(C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C19H21ClF3N3O2S/c1-2-25-9-11-26(12-10-25)17-6-4-3-5-16(17)24-29(27,28)18-8-7-14(20)13-15(18)19(21,22)23/h3-8,13,24H,2,9-12H2,1H3/p+1