1-[(4-chloranyl-5-methoxy-1,3-benzothiazol-2-yl)sulfonyl]piperazin-2-one; ethanoyl fluoride

Systemtic Name: 1-[(4-chloranyl-5-methoxy-1,3-benzothiazol-2-yl)sulfonyl]piperazin-2-one; ethanoyl fluoride Openeye Name: acetyl fluoride; 1-[(4-chloro-5-methoxy-1,3-benzothiazol-2-yl)sulfonyl]piperazin-2-one CAS Name: acetyl fluoride; 1-[(4-chloro-5-methoxy-1,3-benzothiazol-2-yl)sulfonyl]-2-piperazinone IUPAC Name: acetyl fluoride; 1-[(4-chloro-5-methoxy-1,3-benzothiazol-2-yl)sulfonyl]piperazin-2-one Traditional Name: acetyl fluoride; 1-[(4-chloro-5-methoxy-1,3-benzothiazol-2-yl)sulfonyl]piperazin-2-one Formula: C18H21ClF3N3O7S2 MolecularWeight: 547.95345

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)F.CC(=O)F.CC(=O)F.COC1=C(C2=C(C=C1)SC(=N2)S(=O)(=O)N3CCNCC3=O)Cl

Isomeric SMILES

CC(=O)F.CC(=O)F.CC(=O)F.COC1=C(C2=C(C=C1)SC(=N2)S(=O)(=O)N3CCNCC3=O)Cl

InChI

InChI=1S/C12H12ClN3O4S2.3C2H3FO/c1-20-7-2-3-8-11(10(7)13)15-12(21-8)22(18,19)16-5-4-14-6-9(16)17;3*1-2(3)4/h2-3,14H,4-6H2,1H3;3*1H3