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

Systemtic Name: [4-(4-chloranyl-3-sulfamoyl-phenyl)-3,3-dimethyl-4-oxidanyl-1,3-thiazolidin-3-ium-2-ylidene]-phenyl-azanium bromide Openeye Name: [4-(4-chloro-3-sulfamoyl-phenyl)-4-hydroxy-3,3-dimethyl-thiazolidin-3-ium-2-ylidene]-phenyl-ammonium bromide CAS Name: [4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3,3-dimethyl-2-thiazolidin-3-iumylidene]-phenylammonium bromide IUPAC Name: [4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3,3-dimethyl-1,3-thiazolidin-3-ium-2-ylidene]-phenylazanium bromide Traditional Name: [4-(4-chloro-3-sulfamoyl-phenyl)-4-hydroxy-3,3-dimethyl-thiazolidin-3-ium-2-ylidene]-phenyl-ammonium bromide Formula: C17H20BrClN3O3S2+ MolecularWeight: 493.846

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=[NH+]C2=CC=CC=C2)SCC1(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O)C.[Br-]

Isomeric SMILES

C[N+]1(C(=[NH+]C2=CC=CC=C2)SCC1(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O)C.[Br-]

InChI

InChI=1S/C17H19ClN3O3S2.BrH/c1-21(2)16(20-13-6-4-3-5-7-13)25-11-17(21,22)12-8-9-14(18)15(10-12)26(19,23)24;/h3-10,22H,11H2,1-2H3,(H2,19,23,24);1H/q+1;