[4-(4-chloranyl-3-sulfamoyl-phenyl)-3-methyl-4-oxidanyl-1,3-thiazolidin-2-ylidene]-methyl-(1-oxidanyl-1-phenyl-propan-2-yl)azanium bromide

Systemtic Name: [4-(4-chloranyl-3-sulfamoyl-phenyl)-3-methyl-4-oxidanyl-1,3-thiazolidin-2-ylidene]-methyl-(1-oxidanyl-1-phenyl-propan-2-yl)azanium bromide Openeye Name: [4-(4-chloro-3-sulfamoyl-phenyl)-4-hydroxy-3-methyl-thiazolidin-2-ylidene]-(2-hydroxy-1-methyl-2-phenyl-ethyl)-methyl-ammonium bromide CAS Name: [4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-2-thiazolidinylidene]-(1-hydroxy-1-phenylpropan-2-yl)-methylammonium bromide IUPAC Name: [4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-(1-hydroxy-1-phenylpropan-2-yl)-methylazanium bromide Traditional Name: [4-(4-chloro-3-sulfamoyl-phenyl)-4-hydroxy-3-methyl-thiazolidin-2-ylidene]-(2-hydroxy-1-methyl-2-phenyl-ethyl)-methyl-ammonium bromide Formula: C20H25BrClN3O4S2 MolecularWeight: 550.9172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)[N+](=C2N(C(CS2)(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O)C)C.[Br-]

Isomeric SMILES

CC(C(C1=CC=CC=C1)O)[N+](=C2N(C(CS2)(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O)C)C.[Br-]

InChI

InChI=1S/C20H25ClN3O4S2.BrH/c1-13(18(25)14-7-5-4-6-8-14)23(2)19-24(3)20(26,12-29-19)15-9-10-16(21)17(11-15)30(22,27)28;/h4-11,13,18,25-26H,12H2,1-3H3,(H2,22,27,28);1H/q+1;/p-1