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

Systemtic Name: dibutyl-[4-(4-chloranyl-3-sulfamoyl-phenyl)-3-methyl-4-oxidanyl-1,3-thiazolidin-2-ylidene]azanium bromide Openeye Name: dibutyl-[4-(4-chloro-3-sulfamoyl-phenyl)-4-hydroxy-3-methyl-thiazolidin-2-ylidene]ammonium bromide CAS Name: dibutyl-[4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-2-thiazolidinylidene]ammonium bromide IUPAC Name: dibutyl-[4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]azanium bromide Traditional Name: dibutyl-[4-(4-chloro-3-sulfamoyl-phenyl)-4-hydroxy-3-methyl-thiazolidin-2-ylidene]ammonium bromide Formula: C18H29BrClN3O3S2 MolecularWeight: 514.92816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29ClN3O3S2.BrH/c1-4-6-10-22(11-7-5-2)17-21(3)18(23,13-26-17)14-8-9-15(19)16(12-14)27(20,24)25;/h8-9,12,23H,4-7,10-11,13H2,1-3H3,(H2,20,24,25);1H/q+1;/p-1