[2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-benzoate CAS Name: 5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoate Traditional Name: 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C26H28FNO5S MolecularWeight: 485.567623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)F)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)F)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H28FNO5S/c1-16-2-7-22(34(31,32)28-21-5-3-20(27)4-6-21)11-23(16)25(30)33-15-24(29)26-12-17-8-18(13-26)10-19(9-17)14-26/h2-7,11,17-19,28H,8-10,12-15H2,1H3