2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]acetamide CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-pyridin-1-iumylsulfamoyl)phenyl]acetamide IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]acetamide Formula: C21H21ClN3O4S+ MolecularWeight: 446.92714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=[NH+]3

InChI

InChI=1S/C21H20ClN3O4S/c1-14-11-17(12-15(2)21(14)22)29-13-20(26)24-16-6-8-18(9-7-16)30(27,28)25-19-5-3-4-10-23-19/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26)/p+1