[4-(4-chloranyl-3-sulfamoyl-phenyl)-3-cyclohexyl-4-oxidanyl-1,3-thiazolidin-2-ylidene]-bis(prop-2-enyl)azanium bromide

Systemtic Name: [4-(4-chloranyl-3-sulfamoyl-phenyl)-3-cyclohexyl-4-oxidanyl-1,3-thiazolidin-2-ylidene]-bis(prop-2-enyl)azanium bromide Openeye Name: diallyl-[4-(4-chloro-3-sulfamoyl-phenyl)-3-cyclohexyl-4-hydroxy-thiazolidin-2-ylidene]ammonium bromide CAS Name: [4-(4-chloro-3-sulfamoylphenyl)-3-cyclohexyl-4-hydroxy-2-thiazolidinylidene]-bis(prop-2-enyl)ammonium bromide IUPAC Name: [4-(4-chloro-3-sulfamoylphenyl)-3-cyclohexyl-4-hydroxy-1,3-thiazolidin-2-ylidene]-bis(prop-2-enyl)azanium bromide Traditional Name: diallyl-[4-(4-chloro-3-sulfamoyl-phenyl)-3-cyclohexyl-4-hydroxy-thiazolidin-2-ylidene]ammonium bromide Formula: C21H29BrClN3O3S2 MolecularWeight: 550.96026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+](=C1N(C(CS1)(C2=CC(=C(C=C2)Cl)S(=O)(=O)N)O)C3CCCCC3)CC=C.[Br-]

Isomeric SMILES

C=CC[N+](=C1N(C(CS1)(C2=CC(=C(C=C2)Cl)S(=O)(=O)N)O)C3CCCCC3)CC=C.[Br-]

InChI

InChI=1S/C21H29ClN3O3S2.BrH/c1-3-12-24(13-4-2)20-25(17-8-6-5-7-9-17)21(26,15-29-20)16-10-11-18(22)19(14-16)30(23,27)28;/h3-4,10-11,14,17,26H,1-2,5-9,12-13,15H2,(H2,23,27,28);1H/q+1;/p-1