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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide Traditional Name: N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]-4-(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=C(C=C3)C(F)(F)F

Isomeric SMILES

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

InChI

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