[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-fluoranyl-5-sulfamoyl-benzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-fluoranyl-5-sulfamoyl-benzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-fluoro-5-sulfamoyl-benzoate CAS Name: 2-fluoro-5-sulfamoylbenzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate Traditional Name: 2-fluoro-5-sulfamoyl-benzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C20H25FN2O5S MolecularWeight: 424.486303

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=C(C=CC(=C4)S(=O)(=O)N)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=C(C=CC(=C4)S(=O)(=O)N)F

InChI

InChI=1S/C20H25FN2O5S/c21-17-2-1-15(29(22,26)27)6-16(17)19(25)28-10-18(24)23-11-20-7-12-3-13(8-20)5-14(4-12)9-20/h1-2,6,12-14H,3-5,7-11H2,(H,23,24)(H2,22,26,27)