N-[(E)-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylideneamino]-2-[(4-fluorophenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[(E)-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylideneamino]-2-[(4-fluorophenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[(E)-(4-allyloxy-3-bromo-5-methoxy-phenyl)methyleneamino]-2-(4-fluoro-N-methylsulfonyl-anilino)acetamide CAS Name: N-[(E)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-(4-fluoro-N-methylsulfonylanilino)acetamide IUPAC Name: N-[(E)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-(4-fluoro-N-methylsulfonylanilino)acetamide Traditional Name: N-[(E)-(4-allyloxy-3-bromo-5-methoxy-benzylidene)amino]-2-(4-fluoro-N-mesyl-anilino)acetamide Formula: C20H21BrFN3O5S MolecularWeight: 514.365243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C)Br)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C)Br)OCC=C

InChI

InChI=1S/C20H21BrFN3O5S/c1-4-9-30-20-17(21)10-14(11-18(20)29-2)12-23-24-19(26)13-25(31(3,27)28)16-7-5-15(22)6-8-16/h4-8,10-12H,1,9,13H2,2-3H3,(H,24,26)/b23-12+