(E)-3-(2-chloranyl-6-fluoranyl-phenyl)-2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(2-chloranyl-6-fluoranyl-phenyl)-2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-3-(2-chloro-6-fluoro-phenyl)-2-cyano-N-[3-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-[3-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(2-chloro-6-fluoro-phenyl)-2-cyano-N-(3-piperidinosulfonylphenyl)acrylamide Formula: C21H19ClFN3O3S MolecularWeight: 447.910263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C(=CC3=C(C=CC=C3Cl)F)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)/C(=C/C3=C(C=CC=C3Cl)F)/C#N

InChI

InChI=1S/C21H19ClFN3O3S/c22-19-8-5-9-20(23)18(19)12-15(14-24)21(27)25-16-6-4-7-17(13-16)30(28,29)26-10-2-1-3-11-26/h4-9,12-13H,1-3,10-11H2,(H,25,27)/b15-12+