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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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