N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-nitro-4-oxidanyl-benzenesulfonamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-hydroxy-3-nitro-benzenesulfonamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide Traditional Name: 4-hydroxy-3-nitro-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]benzenesulfonamide Formula: C16H16N4O7S2 MolecularWeight: 440.45084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O7S2/c21-15-7-6-13(10-14(15)20(22)23)28(24,25)18-11-3-1-4-12(9-11)29(26,27)19-16-5-2-8-17-16/h1,3-4,6-7,9-10,18,21H,2,5,8H2,(H,17,19)