N-(1-oxidanyl-2-oxidanylidene-5-propan-2-yl-pyrrolidin-1-ium-1-yl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide

Systemtic Name: N-(1-oxidanyl-2-oxidanylidene-5-propan-2-yl-pyrrolidin-1-ium-1-yl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide Openeye Name: N-(1-hydroxy-2-isopropyl-5-oxo-pyrrolidin-1-ium-1-yl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide CAS Name: N-(1-hydroxy-2-oxo-5-propan-2-yl-1-pyrrolidin-1-iumyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide IUPAC Name: N-(1-hydroxy-2-oxo-5-propan-2-ylpyrrolidin-1-ium-1-yl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide Traditional Name: N-(1-hydroxy-2-isopropyl-5-keto-pyrrolidin-1-ium-1-yl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide Formula: C20H22F3N2O4S+ MolecularWeight: 443.45989

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(=O)[N+]1(NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)O

Isomeric SMILES

CC(C)C1CCC(=O)[N+]1(NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)O

InChI

InChI=1S/C20H22F3N2O4S/c1-13(2)18-11-12-19(26)25(18,27)24-30(28,29)17-9-5-15(6-10-17)14-3-7-16(8-4-14)20(21,22)23/h3-10,13,18,24,27H,11-12H2,1-2H3/q+1