[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-(methylsulfamoyl)benzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-(methylsulfamoyl)benzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 3-(methylsulfamoyl)benzoate CAS Name: 3-(methylsulfamoyl)benzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate Traditional Name: 3-(methylsulfamoyl)benzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H28N2O5S/c1-22-29(26,27)18-4-2-3-17(8-18)20(25)28-12-19(24)23-13-21-9-14-5-15(10-21)7-16(6-14)11-21/h2-4,8,14-16,22H,5-7,9-13H2,1H3,(H,23,24)