[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-(ethylsulfamoyl)benzoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-(ethylsulfamoyl)benzoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 3-(ethylsulfamoyl)benzoate CAS Name: 3-(ethylsulfamoyl)benzoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 3-(ethylsulfamoyl)benzoate Traditional Name: 3-(ethylsulfamoyl)benzoic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5S/c1-3-23-29(26,27)19-6-4-5-18(10-19)21(25)28-14(2)20(24)22-11-15-7-16(12-22)9-17(8-15)13-22/h4-6,10,14-17,23H,3,7-9,11-13H2,1-2H3