[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate CAS Name: 2-[(4-fluorophenyl)sulfonylamino]benzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-fluorophenyl)sulfonylamino]benzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C26H29FN2O5S MolecularWeight: 500.582263

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=CC=CC=C4NS(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=CC=CC=C4NS(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H29FN2O5S/c27-20-5-7-21(8-6-20)35(32,33)29-23-4-2-1-3-22(23)25(31)34-15-24(30)28-16-26-12-17-9-18(13-26)11-19(10-17)14-26/h1-8,17-19,29H,9-16H2,(H,28,30)