2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-fluoranyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-fluoranyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-fluoro-5-nitro-phenyl)acetamide CAS Name: 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)thio]-N-(2-fluoro-5-nitrophenyl)acetamide IUPAC Name: 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-fluoro-5-nitrophenyl)acetamide Traditional Name: 2-[(5-esyl-1,3-benzoxazol-2-yl)thio]-N-(2-fluoro-5-nitro-phenyl)acetamide Formula: C17H14FN3O6S2 MolecularWeight: 439.437963

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F

InChI

InChI=1S/C17H14FN3O6S2/c1-2-29(25,26)11-4-6-15-14(8-11)20-17(27-15)28-9-16(22)19-13-7-10(21(23)24)3-5-12(13)18/h3-8H,2,9H2,1H3,(H,19,22)