N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(5-fluoranyl-2-nitro-phenoxy)ethanamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(5-fluoranyl-2-nitro-phenoxy)ethanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(5-fluoro-2-nitro-phenoxy)acetamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide Traditional Name: 2-(5-fluoro-2-nitro-phenoxy)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]acetamide Formula: C18H18FN4O6S+ MolecularWeight: 437.422123

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=C(C=CC(=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=C(C=CC(=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H17FN4O6S/c19-12-6-7-15(23(25)26)16(9-12)29-11-18(24)21-13-3-1-4-14(10-13)30(27,28)22-17-5-2-8-20-17/h1,3-4,6-7,9-10H,2,5,8,11H2,(H,20,22)(H,21,24)/p+1