[4-[4-chloranyl-3-(phenethylsulfamoyl)phenyl]-3-methyl-4-oxidanyl-1,3-thiazolidin-2-ylidene]-dimethyl-azanium bromide

Systemtic Name: [4-[4-chloranyl-3-(phenethylsulfamoyl)phenyl]-3-methyl-4-oxidanyl-1,3-thiazolidin-2-ylidene]-dimethyl-azanium bromide Openeye Name: [4-[4-chloro-3-(phenethylsulfamoyl)phenyl]-4-hydroxy-3-methyl-thiazolidin-2-ylidene]-dimethyl-ammonium bromide CAS Name: [4-[4-chloro-3-(phenethylsulfamoyl)phenyl]-4-hydroxy-3-methyl-2-thiazolidinylidene]-dimethylammonium bromide IUPAC Name: [4-[4-chloro-3-(phenethylsulfamoyl)phenyl]-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-dimethylazanium bromide Traditional Name: [4-[4-chloro-3-(phenethylsulfamoyl)phenyl]-4-hydroxy-3-methyl-thiazolidin-2-ylidene]-dimethyl-ammonium bromide Formula: C20H25BrClN3O3S2 MolecularWeight: 534.9178

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=[N+](C)C)SCC1(C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCC3=CC=CC=C3)O.[Br-]

Isomeric SMILES

CN1C(=[N+](C)C)SCC1(C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCC3=CC=CC=C3)O.[Br-]

InChI

InChI=1S/C20H25ClN3O3S2.BrH/c1-23(2)19-24(3)20(25,14-28-19)16-9-10-17(21)18(13-16)29(26,27)22-12-11-15-7-5-4-6-8-15;/h4-10,13,22,25H,11-12,14H2,1-3H3;1H/q+1;/p-1