5-bromanyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]furan-2-carboxamide CAS Name: 5-bromo-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]-2-furamide Formula: C17H19BrN3O4S+ MolecularWeight: 441.31946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C17H18BrN3O4S/c18-15-10-9-14(25-15)17(22)20-12-5-7-13(8-6-12)26(23,24)21-16-4-2-1-3-11-19-16/h5-10H,1-4,11H2,(H,19,21)(H,20,22)/p+1