[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-[(4-fluoranyl-2-methyl-phenyl)sulfonylamino]benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-[(4-fluoranyl-2-methyl-phenyl)sulfonylamino]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-[(4-fluoro-2-methyl-phenyl)sulfonylamino]benzoate CAS Name: 4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(4-fluoro-2-methyl-phenyl)sulfonylamino]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=CC(=C1)F)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

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

InChI

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