N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)ethanamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)ethanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(6-methylbenzofuran-3-yl)acetamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(6-methyl-3-benzofuranyl)acetamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide Traditional Name: 2-(6-methylbenzofuran-3-yl)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]acetamide Formula: C21H22N3O4S+ MolecularWeight: 412.48208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

InChI

InChI=1S/C21H21N3O4S/c1-14-7-8-18-15(13-28-19(18)10-14)11-21(25)23-16-4-2-5-17(12-16)29(26,27)24-20-6-3-9-22-20/h2,4-5,7-8,10,12-13H,3,6,9,11H2,1H3,(H,22,24)(H,23,25)/p+1