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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)ethanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(5,6-dimethylbenzofuran-3-yl)acetamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(5,6-dimethyl-3-benzofuranyl)acetamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide Traditional Name: 2-(5,6-dimethylbenzofuran-3-yl)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]acetamide Formula: C22H24N3O4S+ MolecularWeight: 426.50866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4)C

InChI

InChI=1S/C22H23N3O4S/c1-14-9-19-16(13-29-20(19)10-15(14)2)11-22(26)24-17-5-3-6-18(12-17)30(27,28)25-21-7-4-8-23-21/h3,5-6,9-10,12-13H,4,7-8,11H2,1-2H3,(H,23,25)(H,24,26)/p+1