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

Systemtic Name: [4-[4-chloranyl-3-(2-methylpropyl)-2-sulfamoyl-phenyl]-3-methyl-4-oxidanyl-1,3-thiazolidin-2-ylidene]-dipropyl-azanium bromide Openeye Name: [4-(4-chloro-3-isobutyl-2-sulfamoyl-phenyl)-4-hydroxy-3-methyl-thiazolidin-2-ylidene]-dipropyl-ammonium bromide CAS Name: [4-[4-chloro-3-(2-methylpropyl)-2-sulfamoylphenyl]-4-hydroxy-3-methyl-2-thiazolidinylidene]-dipropylammonium bromide IUPAC Name: [4-[4-chloro-3-(2-methylpropyl)-2-sulfamoylphenyl]-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-dipropylazanium bromide Traditional Name: [4-(4-chloro-3-isobutyl-2-sulfamoyl-phenyl)-4-hydroxy-3-methyl-thiazolidin-2-ylidene]-dipropyl-ammonium bromide Formula: C20H33BrClN3O3S2 MolecularWeight: 542.98132

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](=C1N(C(CS1)(C2=C(C(=C(C=C2)Cl)CC(C)C)S(=O)(=O)N)O)C)CCC.[Br-]

Isomeric SMILES

CCC[N+](=C1N(C(CS1)(C2=C(C(=C(C=C2)Cl)CC(C)C)S(=O)(=O)N)O)C)CCC.[Br-]

InChI

InChI=1S/C20H33ClN3O3S2.BrH/c1-6-10-24(11-7-2)19-23(5)20(25,13-28-19)16-8-9-17(21)15(12-14(3)4)18(16)29(22,26)27;/h8-9,14,25H,6-7,10-13H2,1-5H3,(H2,22,26,27);1H/q+1;/p-1