ethyl 2-cyano-2-methyl-4,4-bis(phenylsulfonyl)butanoate

Systemtic Name: ethyl 2-cyano-2-methyl-4,4-bis(phenylsulfonyl)butanoate Openeye Name: ethyl 4,4-bis(benzenesulfonyl)-2-cyano-2-methyl-butanoate CAS Name: 4,4-bis(benzenesulfonyl)-2-cyano-2-methylbutanoic acid ethyl ester IUPAC Name: ethyl 4,4-bis(benzenesulfonyl)-2-cyano-2-methylbutanoate Traditional Name: 4,4-dibesyl-2-cyano-2-methyl-butyric acid ethyl ester Formula: C20H21NO6S2 MolecularWeight: 435.51384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CC(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)C(C)(CC(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)C#N

InChI

InChI=1S/C20H21NO6S2/c1-3-27-19(22)20(2,15-21)14-18(28(23,24)16-10-6-4-7-11-16)29(25,26)17-12-8-5-9-13-17/h4-13,18H,3,14H2,1-2H3