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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: 2,3-dimethyl-5-nitro-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzenesulfonamide Formula: C18H21N4O6S2+ MolecularWeight: 453.51254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6S2/c1-12-9-15(22(23)24)11-17(13(12)2)30(27,28)20-14-5-3-6-16(10-14)29(25,26)21-18-7-4-8-19-18/h3,5-6,9-11,20H,4,7-8H2,1-2H3,(H,19,21)/p+1