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

Systemtic Name: 4-bromanyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-nitro-benzamide Openeye Name: 4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-nitro-benzamide CAS Name: 4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-nitrobenzamide Traditional Name: 4-bromo-3-nitro-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzamide Formula: C17H16BrN4O5S+ MolecularWeight: 468.30174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN4O5S/c18-14-7-6-11(9-15(14)22(24)25)17(23)20-12-3-1-4-13(10-12)28(26,27)21-16-5-2-8-19-16/h1,3-4,6-7,9-10H,2,5,8H2,(H,19,21)(H,20,23)/p+1