ethyl (3R)-2,2-bis(fluoranyl)-3-[(4-methylphenyl)sulfinylamino]octanoate

Systemtic Name: ethyl (3R)-2,2-bis(fluoranyl)-3-[(4-methylphenyl)sulfinylamino]octanoate Openeye Name: ethyl (3R)-2,2-difluoro-3-(p-tolylsulfinylamino)octanoate CAS Name: (3R)-2,2-difluoro-3-[(4-methylphenyl)sulfinylamino]octanoic acid ethyl ester IUPAC Name: ethyl (3R)-2,2-difluoro-3-[(4-methylphenyl)sulfinylamino]octanoate Traditional Name: (3R)-2,2-difluoro-3-(p-tolylsulfinylamino)caprylic acid ethyl ester Formula: C17H25F2NO3S MolecularWeight: 361.447106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C(=O)OCC)(F)F)NS(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCC[C@H](C(C(=O)OCC)(F)F)NS(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C17H25F2NO3S/c1-4-6-7-8-15(17(18,19)16(21)23-5-2)20-24(22)14-11-9-13(3)10-12-14/h9-12,15,20H,4-8H2,1-3H3/t15-,24?/m1/s1