N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]piazthiole-4-sulfonamide Formula: C16H16N5O4S3+ MolecularWeight: 438.52434

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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=CC4=NSN=C43

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C16H15N5O4S3/c22-27(23,21-15-8-3-9-17-15)12-5-1-4-11(10-12)20-28(24,25)14-7-2-6-13-16(14)19-26-18-13/h1-2,4-7,10,20H,3,8-9H2,(H,17,21)/p+1