[2-butoxy-6-(4-fluorophenyl)-4-(4-sulfamoylphenyl)pyridin-3-yl] 2-ethylbutanoate

Systemtic Name: [2-butoxy-6-(4-fluorophenyl)-4-(4-sulfamoylphenyl)pyridin-3-yl] 2-ethylbutanoate Openeye Name: [2-butoxy-6-(4-fluorophenyl)-4-(4-sulfamoylphenyl)-3-pyridyl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic acid [2-butoxy-6-(4-fluorophenyl)-4-(4-sulfamoylphenyl)-3-pyridinyl] ester IUPAC Name: [2-butoxy-6-(4-fluorophenyl)-4-(4-sulfamoylphenyl)pyridin-3-yl] 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid [2-butoxy-6-(4-fluorophenyl)-4-(4-sulfamoylphenyl)-3-pyridyl] ester Formula: C27H31FN2O5S MolecularWeight: 514.608843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=CC(=N1)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)N)OC(=O)C(CC)CC

Isomeric SMILES

CCCCOC1=C(C(=CC(=N1)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)N)OC(=O)C(CC)CC

InChI

InChI=1S/C27H31FN2O5S/c1-4-7-16-34-26-25(35-27(31)18(5-2)6-3)23(19-10-14-22(15-11-19)36(29,32)33)17-24(30-26)20-8-12-21(28)13-9-20/h8-15,17-18H,4-7,16H2,1-3H3,(H2,29,32,33)