2-(1-adamantyl)-N-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-(3-methylsulfonylanilino)-2-oxo-ethyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-keto-2-(3-mesylanilino)ethyl]acetamide Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4S/c1-28(26,27)18-4-2-3-17(8-18)23-20(25)13-22-19(24)12-21-9-14-5-15(10-21)7-16(6-14)11-21/h2-4,8,14-16H,5-7,9-13H2,1H3,(H,22,24)(H,23,25)