(3-phenoxyphenyl)methyl 2-[3-[bis(fluoranyl)methylsulfonyl]phenyl]-2-cyano-3-methyl-butanoate

Systemtic Name: (3-phenoxyphenyl)methyl 2-[3-[bis(fluoranyl)methylsulfonyl]phenyl]-2-cyano-3-methyl-butanoate Openeye Name: (3-phenoxyphenyl)methyl 2-cyano-2-[3-(difluoromethylsulfonyl)phenyl]-3-methyl-butanoate CAS Name: 2-cyano-2-[3-(difluoromethylsulfonyl)phenyl]-3-methylbutanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2-cyano-2-[3-(difluoromethylsulfonyl)phenyl]-3-methylbutanoate Traditional Name: 2-cyano-2-[3-(difluoromethylsulfonyl)phenyl]-3-methyl-butyric acid (3-phenoxybenzyl) ester Formula: C26H23F2NO5S MolecularWeight: 499.526326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#N)(C1=CC(=CC=C1)S(=O)(=O)C(F)F)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C#N)(C1=CC(=CC=C1)S(=O)(=O)C(F)F)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C26H23F2NO5S/c1-18(2)26(17-29,20-9-7-13-23(15-20)35(31,32)25(27)28)24(30)33-16-19-8-6-12-22(14-19)34-21-10-4-3-5-11-21/h3-15,18,25H,16H2,1-2H3