5-(3-azanyl-1H-isoindol-2-ium-2-yl)-2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

Systemtic Name: 5-(3-azanyl-1H-isoindol-2-ium-2-yl)-2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Openeye Name: 5-(3-amino-1H-isoindol-2-ium-2-yl)-2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide CAS Name: 5-(3-amino-1H-isoindol-2-ium-2-yl)-2-(1-pyrrolidinyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide IUPAC Name: 5-(3-amino-1H-isoindol-2-ium-2-yl)-2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Traditional Name: 5-(3-amino-1H-isoindol-2-ium-2-yl)-2-pyrrolidino-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Formula: C25H24F3N4O2S+ MolecularWeight: 501.54387

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+]3=C(C4=CC=CC=C4C3)N)S(=O)(=O)NC5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+]3=C(C4=CC=CC=C4C3)N)S(=O)(=O)NC5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C25H23F3N4O2S/c26-25(27,28)18-7-5-8-19(14-18)30-35(33,34)23-15-20(10-11-22(23)31-12-3-4-13-31)32-16-17-6-1-2-9-21(17)24(32)29/h1-2,5-11,14-15,29-30H,3-4,12-13,16H2/p+1