N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-4-(trifluoromethyloxy)benzenesulfonamide

Systemtic Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-4-(trifluoromethyloxy)benzenesulfonamide Openeye Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-4-(trifluoromethoxy)benzenesulfonamide CAS Name: N-[(2R)-3-ethyl-2-(4-morpholin-4-iumyl)pentyl]-4-(trifluoromethoxy)benzenesulfonamide IUPAC Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-ylpentyl]-4-(trifluoromethoxy)benzenesulfonamide Traditional Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-4-(trifluoromethoxy)benzenesulfonamide Formula: C18H28F3N2O4S+ MolecularWeight: 425.48613

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CNS(=O)(=O)C1=CC=C(C=C1)OC(F)(F)F)[NH+]2CCOCC2

Isomeric SMILES

CCC(CC)[C@H](CNS(=O)(=O)C1=CC=C(C=C1)OC(F)(F)F)[NH+]2CCOCC2

InChI

InChI=1S/C18H27F3N2O4S/c1-3-14(4-2)17(23-9-11-26-12-10-23)13-22-28(24,25)16-7-5-15(6-8-16)27-18(19,20)21/h5-8,14,17,22H,3-4,9-13H2,1-2H3/p+1/t17-/m0/s1