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

Systemtic Name: (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(4-fluoro-3-morpholinosulfonyl-phenyl)prop-2-enamide CAS Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[4-fluoro-3-(4-morpholinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(4-fluoro-3-morpholinosulfonyl-phenyl)acrylamide Formula: C22H22ClFN2O6S MolecularWeight: 496.936283

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C=CC(=O)NC3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)/C=C/C(=O)NC3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4)Cl)OC1

InChI

InChI=1S/C22H22ClFN2O6S/c23-17-12-15(13-19-22(17)32-9-1-8-31-19)2-5-21(27)25-16-3-4-18(24)20(14-16)33(28,29)26-6-10-30-11-7-26/h2-5,12-14H,1,6-11H2,(H,25,27)/b5-2+