[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-fluoranyl-3-[(4-methoxyphenyl)sulfamoyl]benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-fluoranyl-3-[(4-methoxyphenyl)sulfamoyl]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]benzoate CAS Name: 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]benzoate Traditional Name: 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C26H28FNO6S MolecularWeight: 501.567023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4)F

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4)F

InChI

InChI=1S/C26H28FNO6S/c1-33-21-5-3-20(4-6-21)28-35(31,32)23-11-19(2-7-22(23)27)25(30)34-15-24(29)26-12-16-8-17(13-26)10-18(9-16)14-26/h2-7,11,16-18,28H,8-10,12-15H2,1H3