4-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine hydrobromide

Systemtic Name: 4-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine hydrobromide Openeye Name: 4-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]thiazol-2-amine hydrobromide CAS Name: 4-[4-(1-pyrrolidinylsulfonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-2-thiazolamine hydrobromide IUPAC Name: 4-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine hydrobromide Traditional Name: [4-(4-pyrrolidinosulfonylphenyl)thiazol-2-yl]-[3-(trifluoromethyl)phenyl]amine hydrobromide Formula: C20H19BrF3N3O2S2 MolecularWeight: 534.41297

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC4=CC=CC(=C4)C(F)(F)F.Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC4=CC=CC(=C4)C(F)(F)F.Br

InChI

InChI=1S/C20H18F3N3O2S2.BrH/c21-20(22,23)15-4-3-5-16(12-15)24-19-25-18(13-29-19)14-6-8-17(9-7-14)30(27,28)26-10-1-2-11-26;/h3-9,12-13H,1-2,10-11H2,(H,24,25);1H