[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29NO5S/c1-14-3-4-18(29(2,26)27)8-19(14)21(25)28-12-20(24)23-13-22-9-15-5-16(10-22)7-17(6-15)11-22/h3-4,8,15-17H,5-7,9-13H2,1-2H3,(H,23,24)