[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C20H25NO5S/c1-27(24,25)17-4-2-16(3-5-17)21-18(22)11-26-20(23)19-14-7-12-6-13(9-14)10-15(19)8-12/h2-5,12-15,19H,6-11H2,1H3,(H,21,22)