N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[[4-(trifluoromethyloxy)phenyl]sulfonylamino]benzenesulfonamide

Systemtic Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[[4-(trifluoromethyloxy)phenyl]sulfonylamino]benzenesulfonamide Openeye Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzenesulfonamide CAS Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzenesulfonamide IUPAC Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzenesulfonamide Traditional Name: N-(1-pyrrolin-1-ium-2-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzenesulfonamide Formula: C17H17F3N3O5S2+ MolecularWeight: 464.45919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16F3N3O5S2/c18-17(19,20)28-13-6-8-14(9-7-13)29(24,25)22-12-3-1-4-15(11-12)30(26,27)23-16-5-2-10-21-16/h1,3-4,6-9,11,22H,2,5,10H2,(H,21,23)/p+1