3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

Systemtic Name: 3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide CAS Name: 3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Formula: C25H25F3N3O3S+ MolecularWeight: 504.54451

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C25H24F3N3O3S/c26-25(27,28)21-9-5-10-22(17-21)29-35(33,34)23-11-4-8-20(16-23)24(32)31-14-12-30(13-15-31)18-19-6-2-1-3-7-19/h1-11,16-17,29H,12-15,18H2/p+1