ethyl 5-[4-[2-(1-adamantyl)ethanoyl]piperazin-1-yl]sulfonylfuran-2-carboxylate

Systemtic Name: ethyl 5-[4-[2-(1-adamantyl)ethanoyl]piperazin-1-yl]sulfonylfuran-2-carboxylate Openeye Name: ethyl 5-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]sulfonylfuran-2-carboxylate CAS Name: 5-[[4-[2-(1-adamantyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]sulfonylfuran-2-carboxylate Traditional Name: 5-[4-[2-(1-adamantyl)acetyl]piperazino]sulfonylfuran-2-carboxylic acid ethyl ester Formula: C23H32N2O6S MolecularWeight: 464.57498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H32N2O6S/c1-2-30-22(27)19-3-4-21(31-19)32(28,29)25-7-5-24(6-8-25)20(26)15-23-12-16-9-17(13-23)11-18(10-16)14-23/h3-4,16-18H,2,5-15H2,1H3