[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-methoxy-3-(methylsulfamoyl)benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-methoxy-3-(methylsulfamoyl)benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-methoxy-3-(methylsulfamoyl)benzoate CAS Name: 4-methoxy-3-(methylsulfamoyl)benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-methoxy-3-(methylsulfamoyl)benzoate Traditional Name: 4-methoxy-3-(methylsulfamoyl)benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C21H27NO6S/c1-22-29(25,26)18-8-16(3-4-17(18)27-2)20(24)28-12-19(23)21-9-13-5-14(10-21)7-15(6-13)11-21/h3-4,8,13-15,22H,5-7,9-12H2,1-2H3