(E)-3-(5-bromanyl-2-fluoranyl-phenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-fluoranyl-phenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-fluoro-phenyl)-N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)-N-(2-methoxy-5-piperidinosulfonyl-phenyl)acrylamide Formula: C21H22BrFN2O4S MolecularWeight: 497.377783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)/C=C/C3=C(C=CC(=C3)Br)F

InChI

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