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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)ethanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide Traditional Name: 2-(3,5-dimethylphenoxy)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]acetamide Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)C

InChI

InChI=1S/C20H23N3O4S/c1-14-9-15(2)11-17(10-14)27-13-20(24)22-16-5-3-6-18(12-16)28(25,26)23-19-7-4-8-21-19/h3,5-6,9-12H,4,7-8,13H2,1-2H3,(H,21,23)(H,22,24)/p+1