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

Systemtic Name: [4-[4-chloranyl-3-(cyclohexylmethylsulfamoyl)phenyl]-3-methyl-4-oxidanyl-1,3-thiazolidin-2-ylidene]-diethyl-azanium bromide Openeye Name: [4-[4-chloro-3-(cyclohexylmethylsulfamoyl)phenyl]-4-hydroxy-3-methyl-thiazolidin-2-ylidene]-diethyl-ammonium bromide CAS Name: [4-[4-chloro-3-(cyclohexylmethylsulfamoyl)phenyl]-4-hydroxy-3-methyl-2-thiazolidinylidene]-diethylammonium bromide IUPAC Name: [4-[4-chloro-3-(cyclohexylmethylsulfamoyl)phenyl]-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-diethylazanium bromide Traditional Name: [4-[4-chloro-3-(cyclohexylmethylsulfamoyl)phenyl]-4-hydroxy-3-methyl-thiazolidin-2-ylidene]-diethyl-ammonium bromide Formula: C21H33BrClN3O3S2 MolecularWeight: 554.99202

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](=C1N(C(CS1)(C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3CCCCC3)O)C)CC.[Br-]

Isomeric SMILES

CC[N+](=C1N(C(CS1)(C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3CCCCC3)O)C)CC.[Br-]

InChI

InChI=1S/C21H33ClN3O3S2.BrH/c1-4-25(5-2)20-24(3)21(26,15-29-20)17-11-12-18(22)19(13-17)30(27,28)23-14-16-9-7-6-8-10-16;/h11-13,16,23,26H,4-10,14-15H2,1-3H3;1H/q+1;/p-1