3-bromanyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-methoxy-benzenesulfonamide

Systemtic Name: 3-bromanyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-methoxy-benzenesulfonamide Openeye Name: 3-bromo-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-methoxy-benzenesulfonamide CAS Name: 3-bromo-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-methoxybenzenesulfonamide IUPAC Name: 3-bromo-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-methoxybenzenesulfonamide Traditional Name: 3-bromo-4-methoxy-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzenesulfonamide Formula: C17H19BrN3O5S2+ MolecularWeight: 489.38386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)Br

InChI

InChI=1S/C17H18BrN3O5S2/c1-26-16-8-7-14(11-15(16)18)27(22,23)20-12-4-2-5-13(10-12)28(24,25)21-17-6-3-9-19-17/h2,4-5,7-8,10-11,20H,3,6,9H2,1H3,(H,19,21)/p+1