1-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfonyl]piperazin-2-one; ethanoyl fluoride

Systemtic Name: 1-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfonyl]piperazin-2-one; ethanoyl fluoride Openeye Name: acetyl fluoride; 1-[(5-chloro-1,3-benzothiazol-2-yl)sulfonyl]piperazin-2-one CAS Name: acetyl fluoride; 1-[(5-chloro-1,3-benzothiazol-2-yl)sulfonyl]-2-piperazinone IUPAC Name: acetyl fluoride; 1-[(5-chloro-1,3-benzothiazol-2-yl)sulfonyl]piperazin-2-one Traditional Name: acetyl fluoride; 1-[(5-chloro-1,3-benzothiazol-2-yl)sulfonyl]piperazin-2-one Formula: C17H19ClF3N3O6S2 MolecularWeight: 517.92747

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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=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CC(=O)F.CC(=O)F.CC(=O)F.C1CN(C(=O)CN1)S(=O)(=O)C2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C11H10ClN3O3S2.3C2H3FO/c12-7-1-2-9-8(5-7)14-11(19-9)20(17,18)15-4-3-13-6-10(15)16;3*1-2(3)4/h1-2,5,13H,3-4,6H2;3*1H3