(E)-3-(3-fluoranyl-4-methoxy-phenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(3-fluoranyl-4-methoxy-phenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-3-(3-fluoro-4-methoxy-phenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide CAS Name: (E)-3-(3-fluoro-4-methoxyphenyl)-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(3-fluoro-4-methoxyphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(3-fluoro-4-methoxy-phenyl)-N-(3-pyrrolidinosulfonylphenyl)acrylamide Formula: C20H21FN2O4S MolecularWeight: 404.455143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)F

InChI

InChI=1S/C20H21FN2O4S/c1-27-19-9-7-15(13-18(19)21)8-10-20(24)22-16-5-4-6-17(14-16)28(25,26)23-11-2-3-12-23/h4-10,13-14H,2-3,11-12H2,1H3,(H,22,24)/b10-8+