[6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridin-3-yl] 2-butoxy-2-ethyl-butanoate

Systemtic Name: [6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridin-3-yl] 2-butoxy-2-ethyl-butanoate Openeye Name: [6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridyl] 2-butoxy-2-ethyl-butanoate CAS Name: 2-butoxy-2-ethylbutanoic acid [6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl] ester IUPAC Name: [6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridin-3-yl] 2-butoxy-2-ethylbutanoate Traditional Name: 2-butoxy-2-ethyl-butyric acid [6-(4-fluorophenyl)-5-(4-mesylphenyl)-3-pyridyl] ester Formula: C28H32FNO5S MolecularWeight: 513.620783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(CC)(CC)C(=O)OC1=CN=C(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCOC(CC)(CC)C(=O)OC1=CN=C(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C28H32FNO5S/c1-5-8-17-34-28(6-2,7-3)27(31)35-23-18-25(20-11-15-24(16-12-20)36(4,32)33)26(30-19-23)21-9-13-22(29)14-10-21/h9-16,18-19H,5-8,17H2,1-4H3