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

Systemtic Name: dimethyl 5-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate CAS Name: 5-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]sulfamoyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate Traditional Name: 5-[[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]sulfamoyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H22N3O8S2+ MolecularWeight: 496.53398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O8S2/c1-30-19(24)13-9-14(20(25)31-2)11-17(10-13)33(28,29)22-15-5-3-6-16(12-15)32(26,27)23-18-7-4-8-21-18/h3,5-6,9-12,22H,4,7-8H2,1-2H3,(H,21,23)/p+1