2-[(3-bromophenyl)methylsulfanyl]-5-(4-fluorophenyl)-3-(1,3-thiazol-4-yl)benzenesulfonamide

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-5-(4-fluorophenyl)-3-(1,3-thiazol-4-yl)benzenesulfonamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-5-(4-fluorophenyl)-3-thiazol-4-yl-benzenesulfonamide CAS Name: 2-[(3-bromophenyl)methylthio]-5-(4-fluorophenyl)-3-(4-thiazolyl)benzenesulfonamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-5-(4-fluorophenyl)-3-(1,3-thiazol-4-yl)benzenesulfonamide Traditional Name: 2-[(3-bromobenzyl)thio]-5-(4-fluorophenyl)-3-thiazol-4-yl-benzenesulfonamide Formula: C22H16BrFN2O2S3 MolecularWeight: 535.472043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CSC2=C(C=C(C=C2S(=O)(=O)N)C3=CC=C(C=C3)F)C4=CSC=N4

Isomeric SMILES

C1=CC(=CC(=C1)Br)CSC2=C(C=C(C=C2S(=O)(=O)N)C3=CC=C(C=C3)F)C4=CSC=N4

InChI

InChI=1S/C22H16BrFN2O2S3/c23-17-3-1-2-14(8-17)11-30-22-19(20-12-29-13-26-20)9-16(10-21(22)31(25,27)28)15-4-6-18(24)7-5-15/h1-10,12-13H,11H2,(H2,25,27,28)