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

Systemtic Name: 1-(1,3-benzothiazol-2-ylsulfonyl)-3-methyl-piperazin-2-one; ethanoyl fluoride Openeye Name: acetyl fluoride; 1-(1,3-benzothiazol-2-ylsulfonyl)-3-methyl-piperazin-2-one CAS Name: acetyl fluoride; 1-(1,3-benzothiazol-2-ylsulfonyl)-3-methyl-2-piperazinone IUPAC Name: acetyl fluoride; 1-(1,3-benzothiazol-2-ylsulfonyl)-3-methylpiperazin-2-one Traditional Name: acetyl fluoride; 1-(1,3-benzothiazol-2-ylsulfonyl)-3-methyl-piperazin-2-one Formula: C18H22F3N3O6S2 MolecularWeight: 497.50899

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CCN1)S(=O)(=O)C2=NC3=CC=CC=C3S2.CC(=O)F.CC(=O)F.CC(=O)F

Isomeric SMILES

CC1C(=O)N(CCN1)S(=O)(=O)C2=NC3=CC=CC=C3S2.CC(=O)F.CC(=O)F.CC(=O)F

InChI

InChI=1S/C12H13N3O3S2.3C2H3FO/c1-8-11(16)15(7-6-13-8)20(17,18)12-14-9-4-2-3-5-10(9)19-12;3*1-2(3)4/h2-5,8,13H,6-7H2,1H3;3*1H3