N-[[4-[3-fluoranyl-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxidanylidene-1,2-oxazol-2-yl]methyl]ethanamide

Systemtic Name: N-[[4-[3-fluoranyl-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxidanylidene-1,2-oxazol-2-yl]methyl]ethanamide Openeye Name: N-[[4-[3-fluoro-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxo-isoxazol-2-yl]methyl]acetamide CAS Name: N-[[4-[3-fluoro-4-(4-methylsulfonyl-1-piperazinyl)phenyl]-5-oxo-2-isoxazolyl]methyl]acetamide IUPAC Name: N-[[4-[3-fluoro-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide Traditional Name: N-[[4-[3-fluoro-4-(4-mesylpiperazino)phenyl]-5-keto-3-isoxazolin-2-yl]methyl]acetamide Formula: C17H21FN4O5S MolecularWeight: 412.435843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCN1C=C(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)S(=O)(=O)C)F

Isomeric SMILES

CC(=O)NCN1C=C(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)S(=O)(=O)C)F

InChI

InChI=1S/C17H21FN4O5S/c1-12(23)19-11-21-10-14(17(24)27-21)13-3-4-16(15(18)9-13)20-5-7-22(8-6-20)28(2,25)26/h3-4,9-10H,5-8,11H2,1-2H3,(H,19,23)