[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27NO5S/c1-28(25,26)18-4-2-17(3-5-18)22-19(23)13-27-20(24)12-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-13H2,1H3,(H,22,23)