2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-(2-fluorophenyl)sulfonylpiperazino]ethanone Formula: C19H18FN3O4S2 MolecularWeight: 435.492323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C19H18FN3O4S2/c20-14-5-1-4-8-17(14)29(25,26)23-11-9-22(10-12-23)18(24)13-28-19-21-15-6-2-3-7-16(15)27-19/h1-8H,9-13H2