N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(trifluoromethyl)benzamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(trifluoromethyl)benzamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(trifluoromethyl)benzamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(trifluoromethyl)benzamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(trifluoromethyl)benzamide Traditional Name: N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]-2-(trifluoromethyl)benzamide Formula: C18H17F3N3O3S+ MolecularWeight: 412.40609

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C18H16F3N3O3S/c19-18(20,21)15-8-2-1-7-14(15)17(25)23-12-5-3-6-13(11-12)28(26,27)24-16-9-4-10-22-16/h1-3,5-8,11H,4,9-10H2,(H,22,24)(H,23,25)/p+1