methyl 2-[[3,4-bis(fluoranyl)phenyl]sulfonylamino]-2-methyl-pentanoate

Systemtic Name: methyl 2-[[3,4-bis(fluoranyl)phenyl]sulfonylamino]-2-methyl-pentanoate Openeye Name: methyl 2-[(3,4-difluorophenyl)sulfonylamino]-2-methyl-pentanoate CAS Name: 2-[(3,4-difluorophenyl)sulfonylamino]-2-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(3,4-difluorophenyl)sulfonylamino]-2-methylpentanoate Traditional Name: 2-[(3,4-difluorophenyl)sulfonylamino]-2-methyl-valeric acid methyl ester Formula: C13H17F2NO4S MolecularWeight: 321.340186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)OC)NS(=O)(=O)C1=CC(=C(C=C1)F)F

Isomeric SMILES

CCCC(C)(C(=O)OC)NS(=O)(=O)C1=CC(=C(C=C1)F)F

InChI

InChI=1S/C13H17F2NO4S/c1-4-7-13(2,12(17)20-3)16-21(18,19)9-5-6-10(14)11(15)8-9/h5-6,8,16H,4,7H2,1-3H3