(E)-N-(4-bromanyl-2-fluoranyl-phenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enamide

Systemtic Name: (E)-N-(4-bromanyl-2-fluoranyl-phenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-N-(4-bromo-2-fluoro-phenyl)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-N-(4-bromo-2-fluorophenyl)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-N-(4-bromo-2-fluorophenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-N-(4-bromo-2-fluoro-phenyl)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)acrylamide Formula: C21H22BrFN2O4S MolecularWeight: 497.377783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=C(C=C(C=C2)Br)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(C=C(C=C2)Br)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H22BrFN2O4S/c1-29-19-9-5-15(13-20(19)30(27,28)25-11-3-2-4-12-25)6-10-21(26)24-18-8-7-16(22)14-17(18)23/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,26)/b10-6+