N-methyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-4-(trifluoromethyloxy)benzenesulfonamide

Systemtic Name: N-methyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-4-(trifluoromethyloxy)benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-methyl-4-(trifluoromethoxy)benzenesulfonamide CAS Name: N-methyl-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-4-(trifluoromethoxy)benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-methyl-4-(trifluoromethoxy)benzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-methyl-4-(trifluoromethoxy)benzenesulfonamide Formula: C21H25F3N3O4S+ MolecularWeight: 472.50111

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CN(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C21H24F3N3O4S/c1-25(32(29,30)19-9-7-18(8-10-19)31-21(22,23)24)16-20(28)27-13-11-26(12-14-27)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3/p+1