(E)-3-(5-bromanyl-2-fluoranyl-phenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-fluoranyl-phenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-fluoro-phenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)-N-(3-pyrrolidinosulfonylphenyl)acrylamide Formula: C19H18BrFN2O3S MolecularWeight: 453.325223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrFN2O3S/c20-15-7-8-18(21)14(12-15)6-9-19(24)22-16-4-3-5-17(13-16)27(25,26)23-10-1-2-11-23/h3-9,12-13H,1-2,10-11H2,(H,22,24)/b9-6+