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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(2,4-dimethoxyphenyl)ethanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(2,4-dimethoxyphenyl)acetamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(2,4-dimethoxyphenyl)acetamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(2,4-dimethoxyphenyl)acetamide Traditional Name: 2-(2,4-dimethoxyphenyl)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]acetamide Formula: C20H24N3O5S+ MolecularWeight: 418.48666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)OC

InChI

InChI=1S/C20H23N3O5S/c1-27-16-9-8-14(18(13-16)28-2)11-20(24)22-15-5-3-6-17(12-15)29(25,26)23-19-7-4-10-21-19/h3,5-6,8-9,12-13H,4,7,10-11H2,1-2H3,(H,21,23)(H,22,24)/p+1