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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(CC)(C(C)C1=CC=C(C=C1)S(=O)(=O)N)C(=O)OC2=CN=C(C=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCOC(CC)(C(C)C1=CC=C(C=C1)S(=O)(=O)N)C(=O)OC2=CN=C(C=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C27H31FN2O5S/c1-4-6-17-34-27(5-2,19(3)20-9-14-24(15-10-20)36(29,32)33)26(31)35-23-13-16-25(30-18-23)21-7-11-22(28)12-8-21/h7-16,18-19H,4-6,17H2,1-3H3,(H2,29,32,33)