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

Systemtic Name: [6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridin-3-yl] 2-butoxy-2-methyl-butanoate Openeye Name: [6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridyl] 2-butoxy-2-methyl-butanoate CAS Name: 2-butoxy-2-methylbutanoic acid [6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl] ester IUPAC Name: [6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridin-3-yl] 2-butoxy-2-methylbutanoate Traditional Name: 2-butoxy-2-methyl-butyric acid [6-(4-fluorophenyl)-5-(4-mesylphenyl)-3-pyridyl] ester Formula: C27H30FNO5S MolecularWeight: 499.594203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C)(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(C)(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/C27H30FNO5S/c1-5-7-16-33-27(3,6-2)26(30)34-22-17-24(19-10-14-23(15-11-19)35(4,31)32)25(29-18-22)20-8-12-21(28)13-9-20/h8-15,17-18H,5-7,16H2,1-4H3