1-(1,3-benzothiazol-2-ylsulfonyl)piperazin-2-one; ethanoyl fluoride

Systemtic Name: 1-(1,3-benzothiazol-2-ylsulfonyl)piperazin-2-one; ethanoyl fluoride Openeye Name: acetyl fluoride; 1-(1,3-benzothiazol-2-ylsulfonyl)piperazin-2-one CAS Name: acetyl fluoride; 1-(1,3-benzothiazol-2-ylsulfonyl)-2-piperazinone IUPAC Name: acetyl fluoride; 1-(1,3-benzothiazol-2-ylsulfonyl)piperazin-2-one Traditional Name: acetyl fluoride; 1-(1,3-benzothiazol-2-ylsulfonyl)piperazin-2-one Formula: C17H20F3N3O6S2 MolecularWeight: 483.48241

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)F.CC(=O)F.CC(=O)F.C1CN(C(=O)CN1)S(=O)(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)F.CC(=O)F.CC(=O)F.C1CN(C(=O)CN1)S(=O)(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C11H11N3O3S2.3C2H3FO/c15-10-7-12-5-6-14(10)19(16,17)11-13-8-3-1-2-4-9(8)18-11;3*1-2(3)4/h1-4,12H,5-7H2;3*1H3