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

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-(dimethylsulfamoyl)benzoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 3-(dimethylsulfamoyl)benzoate CAS Name: 3-(dimethylsulfamoyl)benzoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 3-(dimethylsulfamoyl)benzoate Traditional Name: 3-(dimethylsulfamoyl)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:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=CC=C4)S(=O)(=O)N(C)C

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=CC=C4)S(=O)(=O)N(C)C

InChI

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