N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]-4-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]-4-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[(1R)-1-methyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl]-4-(trifluoromethyl)benzenesulfonamide CAS Name: N-[(2R)-4-(4-phenyl-1-piperazin-1-iumyl)butan-2-yl]-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]-4-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[(1R)-1-methyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl]-4-(trifluoromethyl)benzenesulfonamide Formula: C21H27F3N3O2S+ MolecularWeight: 442.51819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](CC[NH+]1CCN(CC1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H26F3N3O2S/c1-17(25-30(28,29)20-9-7-18(8-10-20)21(22,23)24)11-12-26-13-15-27(16-14-26)19-5-3-2-4-6-19/h2-10,17,25H,11-16H2,1H3/p+1/t17-/m1/s1