[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-keto-2-[4-[mesyl(methyl)amino]phenyl]ethyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)COC(=O)C2C3CC4CC(C3)CC2C4)S(=O)(=O)C

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)COC(=O)C2C3CC4CC(C3)CC2C4)S(=O)(=O)C

InChI

InChI=1S/C21H27NO5S/c1-22(28(2,25)26)18-5-3-15(4-6-18)19(23)12-27-21(24)20-16-8-13-7-14(10-16)11-17(20)9-13/h3-6,13-14,16-17,20H,7-12H2,1-2H3