6-bromanyl-N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2H-chromene-3-carboxamide

Systemtic Name: 6-bromanyl-N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2H-chromene-3-carboxamide Openeye Name: 6-bromo-N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2H-chromene-3-carboxamide CAS Name: 6-bromo-N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2H-1-benzopyran-3-carboxamide IUPAC Name: 6-bromo-N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2H-chromene-3-carboxamide Traditional Name: 6-bromo-N-[4-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]-2H-chromene-3-carboxamide Formula: C20H19BrN3O4S+ MolecularWeight: 477.35156

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3

InChI

InChI=1S/C20H18BrN3O4S/c21-15-3-8-18-13(11-15)10-14(12-28-18)20(25)23-16-4-6-17(7-5-16)29(26,27)24-19-2-1-9-22-19/h3-8,10-11H,1-2,9,12H2,(H,22,24)(H,23,25)/p+1