(E)-3-(2-chloranyl-6-fluoranyl-phenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(2-chloranyl-6-fluoranyl-phenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-3-(2-chloro-6-fluoro-phenyl)-N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-3-(2-chloro-6-fluorophenyl)-N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(2-chloro-6-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(2-chloro-6-fluoro-phenyl)-N-(2-methoxy-5-piperidinosulfonyl-phenyl)acrylamide Formula: C21H22ClFN2O4S MolecularWeight: 452.926783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C=CC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)/C=C/C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H22ClFN2O4S/c1-29-20-10-8-15(30(27,28)25-12-3-2-4-13-25)14-19(20)24-21(26)11-9-16-17(22)6-5-7-18(16)23/h5-11,14H,2-4,12-13H2,1H3,(H,24,26)/b11-9+