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

Systemtic Name: 4-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]sulfamoyl]-N-methyl-benzamide Openeye Name: 4-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]sulfamoyl]-N-methyl-benzamide CAS Name: 4-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]sulfamoyl]-N-methylbenzamide IUPAC Name: 4-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]sulfamoyl]-N-methylbenzamide Traditional Name: N-methyl-4-[[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]sulfamoyl]benzamide Formula: C18H21N4O5S2+ MolecularWeight: 437.51314

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

InChI

InChI=1S/C18H20N4O5S2/c1-19-18(23)13-7-9-15(10-8-13)28(24,25)21-14-4-2-5-16(12-14)29(26,27)22-17-6-3-11-20-17/h2,4-5,7-10,12,21H,3,6,11H2,1H3,(H,19,23)(H,20,22)/p+1