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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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