N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine hydrobromide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine hydrobromide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)thiazol-2-amine hydrobromide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiazolamine hydrobromide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine hydrobromide Traditional Name: (4-chloro-2,5-dimethoxy-phenyl)-[4-(4-pyrrolidinosulfonylphenyl)thiazol-2-yl]amine hydrobromide Formula: C21H23BrClN3O4S2 MolecularWeight: 560.91202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)OC)Cl.Br

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)OC)Cl.Br

InChI

InChI=1S/C21H22ClN3O4S2.BrH/c1-28-19-12-17(20(29-2)11-16(19)22)23-21-24-18(13-30-21)14-5-7-15(8-6-14)31(26,27)25-9-3-4-10-25;/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,23,24);1H