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

Systemtic Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-iodanyl-benzamide Openeye Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-iodo-benzamide CAS Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-iodobenzamide IUPAC Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-iodobenzamide Traditional Name: 3-iodo-N-[4-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzamide Formula: C17H17IN3O3S+ MolecularWeight: 470.30465

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16IN3O3S/c18-13-4-1-3-12(11-13)17(22)20-14-6-8-15(9-7-14)25(23,24)21-16-5-2-10-19-16/h1,3-4,6-9,11H,2,5,10H2,(H,19,21)(H,20,22)/p+1