(E)-3-(6-fluoranyl-4H-1,3-benzodioxin-8-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(6-fluoranyl-4H-1,3-benzodioxin-8-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N-(2-methoxy-5-morpholinosulfonyl-phenyl)prop-2-enamide CAS Name: (E)-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N-(2-methoxy-5-morpholinosulfonyl-phenyl)acrylamide Formula: C22H23FN2O7S MolecularWeight: 478.490623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C=CC3=CC(=CC4=C3OCOC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)/C=C/C3=CC(=CC4=C3OCOC4)F

InChI

InChI=1S/C22H23FN2O7S/c1-29-20-4-3-18(33(27,28)25-6-8-30-9-7-25)12-19(20)24-21(26)5-2-15-10-17(23)11-16-13-31-14-32-22(15)16/h2-5,10-12H,6-9,13-14H2,1H3,(H,24,26)/b5-2+