methyl 2-[[2,6-bis(fluoranyl)phenyl]sulfonylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[[2,6-bis(fluoranyl)phenyl]sulfonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[(2,6-difluorophenyl)sulfonylamino]-4-methyl-pentanoate CAS Name: 2-[(2,6-difluorophenyl)sulfonylamino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(2,6-difluorophenyl)sulfonylamino]-4-methylpentanoate Traditional Name: 2-[(2,6-difluorophenyl)sulfonylamino]-4-methyl-valeric acid methyl ester Formula: C13H17F2NO4S MolecularWeight: 321.340186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NS(=O)(=O)C1=C(C=CC=C1F)F

Isomeric SMILES

CC(C)CC(C(=O)OC)NS(=O)(=O)C1=C(C=CC=C1F)F

InChI

InChI=1S/C13H17F2NO4S/c1-8(2)7-11(13(17)20-3)16-21(18,19)12-9(14)5-4-6-10(12)15/h4-6,8,11,16H,7H2,1-3H3