(phenylmethyl) (E,2S,3S)-2-fluoranyl-3-[[(S)-(4-methylphenyl)sulfinyl]amino]-2-(trifluoromethyl)hex-4-enoate

Systemtic Name: (phenylmethyl) (E,2S,3S)-2-fluoranyl-3-[[(S)-(4-methylphenyl)sulfinyl]amino]-2-(trifluoromethyl)hex-4-enoate Openeye Name: benzyl (E,2S,3S)-2-fluoro-3-[[(S)-p-tolylsulfinyl]amino]-2-(trifluoromethyl)hex-4-enoate CAS Name: (E,2S,3S)-2-fluoro-3-[[(S)-(4-methylphenyl)sulfinyl]amino]-2-(trifluoromethyl)-4-hexenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E,2S,3S)-2-fluoro-3-[[(S)-(4-methylphenyl)sulfinyl]amino]-2-(trifluoromethyl)hex-4-enoate Traditional Name: (E,2S,3S)-2-fluoro-3-[[(S)-p-tolylsulfinyl]amino]-2-(trifluoromethyl)hex-4-enoic acid benzyl ester Formula: C21H21F4NO3S MolecularWeight: 443.454953

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(C(C(=O)OCC1=CC=CC=C1)(C(F)(F)F)F)NS(=O)C2=CC=C(C=C2)C

Isomeric SMILES

C/C=C/[C@@H]([C@](C(=O)OCC1=CC=CC=C1)(C(F)(F)F)F)N[S@@](=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H21F4NO3S/c1-3-7-18(26-30(28)17-12-10-15(2)11-13-17)20(22,21(23,24)25)19(27)29-14-16-8-5-4-6-9-16/h3-13,18,26H,14H2,1-2H3/b7-3+/t18-,20-,30-/m0/s1