ethyl 2-[2,2-bis(phenylsulfonyl)ethyl]-2-cyano-hexanoate

Systemtic Name: ethyl 2-[2,2-bis(phenylsulfonyl)ethyl]-2-cyano-hexanoate Openeye Name: ethyl 2-[2,2-bis(benzenesulfonyl)ethyl]-2-cyano-hexanoate CAS Name: 2-[2,2-bis(benzenesulfonyl)ethyl]-2-cyanohexanoic acid ethyl ester IUPAC Name: ethyl 2-[2,2-bis(benzenesulfonyl)ethyl]-2-cyanohexanoate Traditional Name: 2-cyano-2-(2,2-dibesylethyl)hexanoic acid ethyl ester Formula: C23H27NO6S2 MolecularWeight: 477.59358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)(C#N)C(=O)OCC

Isomeric SMILES

CCCCC(CC(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)(C#N)C(=O)OCC

InChI

InChI=1S/C23H27NO6S2/c1-3-5-16-23(18-24,22(25)30-4-2)17-21(31(26,27)19-12-8-6-9-13-19)32(28,29)20-14-10-7-11-15-20/h6-15,21H,3-5,16-17H2,1-2H3