(E)-3-(5-bromanyl-2-fluoranyl-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(5-bromanyl-2-fluoranyl-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-fluoro-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(5-bromo-2-fluorophenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)-1-(4-pyrrolidinosulfonylphenyl)prop-2-en-1-one Formula: C19H17BrFNO3S MolecularWeight: 438.310583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)/C=C/C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C19H17BrFNO3S/c20-16-6-9-18(21)15(13-16)5-10-19(23)14-3-7-17(8-4-14)26(24,25)22-11-1-2-12-22/h3-10,13H,1-2,11-12H2/b10-5+