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

Systemtic Name: [4-(4-chloranyl-3-sulfamoyl-phenyl)-3-ethyl-4-oxidanyl-1,3-thiazolidin-2-ylidene]-dicyclohexyl-azanium bromide Openeye Name: [4-(4-chloro-3-sulfamoyl-phenyl)-3-ethyl-4-hydroxy-thiazolidin-2-ylidene]-dicyclohexyl-ammonium bromide CAS Name: [4-(4-chloro-3-sulfamoylphenyl)-3-ethyl-4-hydroxy-2-thiazolidinylidene]-dicyclohexylammonium bromide IUPAC Name: [4-(4-chloro-3-sulfamoylphenyl)-3-ethyl-4-hydroxy-1,3-thiazolidin-2-ylidene]-dicyclohexylazanium bromide Traditional Name: [4-(4-chloro-3-sulfamoyl-phenyl)-3-ethyl-4-hydroxy-thiazolidin-2-ylidene]-dicyclohexyl-ammonium bromide Formula: C23H35BrClN3O3S2 MolecularWeight: 581.0293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2CCCCC2)C3CCCCC3)SCC1(C4=CC(=C(C=C4)Cl)S(=O)(=O)N)O.[Br-]

Isomeric SMILES

CCN1C(=[N+](C2CCCCC2)C3CCCCC3)SCC1(C4=CC(=C(C=C4)Cl)S(=O)(=O)N)O.[Br-]

InChI

InChI=1S/C23H35ClN3O3S2.BrH/c1-2-26-22(27(18-9-5-3-6-10-18)19-11-7-4-8-12-19)31-16-23(26,28)17-13-14-20(24)21(15-17)32(25,29)30;/h13-15,18-19,28H,2-12,16H2,1H3,(H2,25,29,30);1H/q+1;/p-1