4-ethyl-4-methyl-3-(4-methylsulfonylphenyl)-2-pyridin-4-yl-cyclopent-2-en-1-one

Systemtic Name: 4-ethyl-4-methyl-3-(4-methylsulfonylphenyl)-2-pyridin-4-yl-cyclopent-2-en-1-one Openeye Name: 4-ethyl-4-methyl-3-(4-methylsulfonylphenyl)-2-(4-pyridyl)cyclopent-2-en-1-one CAS Name: 4-ethyl-4-methyl-3-(4-methylsulfonylphenyl)-2-pyridin-4-yl-1-cyclopent-2-enone IUPAC Name: 4-ethyl-4-methyl-3-(4-methylsulfonylphenyl)-2-pyridin-4-ylcyclopent-2-en-1-one Traditional Name: 4-ethyl-3-(4-mesylphenyl)-4-methyl-2-(4-pyridyl)cyclopent-2-en-1-one Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=O)C(=C1C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=NC=C3)C

Isomeric SMILES

CCC1(CC(=O)C(=C1C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=NC=C3)C

InChI

InChI=1S/C20H21NO3S/c1-4-20(2)13-17(22)18(14-9-11-21-12-10-14)19(20)15-5-7-16(8-6-15)25(3,23)24/h5-12H,4,13H2,1-3H3