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

Systemtic Name: ethyl 4-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]sulfamoyl]benzoate Openeye Name: ethyl 4-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]sulfamoyl]benzoate CAS Name: 4-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]sulfamoyl]benzoate Traditional Name: 4-[[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid ethyl ester Formula: C19H22N3O6S2+ MolecularWeight: 452.52448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6S2/c1-2-28-19(23)14-8-10-16(11-9-14)29(24,25)21-15-5-3-6-17(13-15)30(26,27)22-18-7-4-12-20-18/h3,5-6,8-11,13,21H,2,4,7,12H2,1H3,(H,20,22)/p+1