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

Systemtic Name: 2-chloranyl-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-nitro-benzenesulfonamide Openeye Name: 2-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-nitro-benzenesulfonamide CAS Name: 2-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-nitrobenzenesulfonamide Traditional Name: 2-chloro-5-nitro-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]benzenesulfonamide Formula: C16H15ClN4O6S2 MolecularWeight: 458.8965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN4O6S2/c17-14-7-6-12(21(22)23)10-15(14)29(26,27)19-11-3-1-4-13(9-11)28(24,25)20-16-5-2-8-18-16/h1,3-4,6-7,9-10,19H,2,5,8H2,(H,18,20)