2-(5-bromanylpyridin-2-yl)oxy-4,4-dimethyl-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one

Systemtic Name: 2-(5-bromanylpyridin-2-yl)oxy-4,4-dimethyl-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one Openeye Name: 2-[(5-bromo-2-pyridyl)oxy]-4,4-dimethyl-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one CAS Name: 2-[(5-bromo-2-pyridinyl)oxy]-4,4-dimethyl-3-(4-methylsulfonylphenyl)-1-cyclopent-2-enone IUPAC Name: 2-(5-bromopyridin-2-yl)oxy-4,4-dimethyl-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one Traditional Name: 2-[(5-bromo-2-pyridyl)oxy]-3-(4-mesylphenyl)-4,4-dimethyl-cyclopent-2-en-1-one Formula: C19H18BrNO4S MolecularWeight: 436.31952

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=C1C2=CC=C(C=C2)S(=O)(=O)C)OC3=NC=C(C=C3)Br)C

Isomeric SMILES

CC1(CC(=O)C(=C1C2=CC=C(C=C2)S(=O)(=O)C)OC3=NC=C(C=C3)Br)C

InChI

InChI=1S/C19H18BrNO4S/c1-19(2)10-15(22)18(25-16-9-6-13(20)11-21-16)17(19)12-4-7-14(8-5-12)26(3,23)24/h4-9,11H,10H2,1-3H3