[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-(2-thienylsulfonylamino)benzoate CAS Name: 2-(thiophen-2-ylsulfonylamino)benzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-(2-thienylsulfonylamino)benzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C24H28N2O5S2 MolecularWeight: 488.61952

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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=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=CC=CC=C4NS(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C24H28N2O5S2/c27-21(25-15-24-11-16-8-17(12-24)10-18(9-16)13-24)14-31-23(28)19-4-1-2-5-20(19)26-33(29,30)22-6-3-7-32-22/h1-7,16-18,26H,8-15H2,(H,25,27)