[4-(4-bromanyl-3-sulfamoyl-phenyl)-3-ethyl-4-oxidanyl-1,3-thiazolidin-2-ylidene]-diethyl-azanium bromide

Systemtic Name: [4-(4-bromanyl-3-sulfamoyl-phenyl)-3-ethyl-4-oxidanyl-1,3-thiazolidin-2-ylidene]-diethyl-azanium bromide Openeye Name: [4-(4-bromo-3-sulfamoyl-phenyl)-3-ethyl-4-hydroxy-thiazolidin-2-ylidene]-diethyl-ammonium bromide CAS Name: [4-(4-bromo-3-sulfamoylphenyl)-3-ethyl-4-hydroxy-2-thiazolidinylidene]-diethylammonium bromide IUPAC Name: [4-(4-bromo-3-sulfamoylphenyl)-3-ethyl-4-hydroxy-1,3-thiazolidin-2-ylidene]-diethylazanium bromide Traditional Name: [4-(4-bromo-3-sulfamoyl-phenyl)-3-ethyl-4-hydroxy-thiazolidin-2-ylidene]-diethyl-ammonium bromide Formula: C15H23Br2N3O3S2 MolecularWeight: 517.29942

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](CC)CC)SCC1(C2=CC(=C(C=C2)Br)S(=O)(=O)N)O.[Br-]

Isomeric SMILES

CCN1C(=[N+](CC)CC)SCC1(C2=CC(=C(C=C2)Br)S(=O)(=O)N)O.[Br-]

InChI

InChI=1S/C15H23BrN3O3S2.BrH/c1-4-18(5-2)14-19(6-3)15(20,10-23-14)11-7-8-12(16)13(9-11)24(17,21)22;/h7-9,20H,4-6,10H2,1-3H3,(H2,17,21,22);1H/q+1;/p-1