1-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonyl-ethanone

Systemtic Name: 1-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonyl-ethanone Openeye Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonyl-ethanone CAS Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(4-fluorophenyl)sulfonylethanone IUPAC Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylethanone Traditional Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazino]-2-(4-fluorophenyl)sulfonyl-ethanone Formula: C19H17BrFN3O3S2 MolecularWeight: 498.388983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Br)C(=O)CS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Br)C(=O)CS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H17BrFN3O3S2/c20-13-1-6-16-17(11-13)28-19(22-16)24-9-7-23(8-10-24)18(25)12-29(26,27)15-4-2-14(21)3-5-15/h1-6,11H,7-10,12H2