3-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]sulfamoyl]benzoate

Systemtic Name: 3-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]sulfamoyl]benzoate Openeye Name: 3-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]sulfamoyl]benzoate CAS Name: 3-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]sulfamoyl]benzoate IUPAC Name: 3-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]sulfamoyl]benzoate Traditional Name: 3-[[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]sulfamoyl]benzoate Formula: C17H17N3O6S2 MolecularWeight: 423.46338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O6S2/c21-17(22)12-4-1-6-14(10-12)27(23,24)19-13-5-2-7-15(11-13)28(25,26)20-16-8-3-9-18-16/h1-2,4-7,10-11,19H,3,8-9H2,(H,18,20)(H,21,22)