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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(3-methyl-4-propan-2-yl-phenoxy)ethanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(4-isopropyl-3-methyl-phenoxy)acetamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide Traditional Name: 2-(4-isopropyl-3-methyl-phenoxy)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]acetamide Formula: C22H28N3O4S+ MolecularWeight: 430.54042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c1-15(2)20-10-9-18(12-16(20)3)29-14-22(26)24-17-6-4-7-19(13-17)30(27,28)25-21-8-5-11-23-21/h4,6-7,9-10,12-13,15H,5,8,11,14H2,1-3H3,(H,23,25)(H,24,26)/p+1