O-phenethyl [4,4,4-tris(fluoranyl)-1-[(4-fluorophenyl)-methylsulfonyl-amino]butan-2-yl]sulfanylmethanethioate

Systemtic Name: O-phenethyl [4,4,4-tris(fluoranyl)-1-[(4-fluorophenyl)-methylsulfonyl-amino]butan-2-yl]sulfanylmethanethioate Openeye Name: O-phenethyl [3,3,3-trifluoro-1-[(4-fluoro-N-methylsulfonyl-anilino)methyl]propyl]sulfanylmethanethioate CAS Name: [[4,4,4-trifluoro-1-(4-fluoro-N-methylsulfonylanilino)butan-2-yl]thio]methanethioic acid O-phenethyl ester IUPAC Name: O-phenethyl [4,4,4-trifluoro-1-(4-fluoro-N-methylsulfonylanilino)butan-2-yl]sulfanylmethanethioate Traditional Name: [[3,3,3-trifluoro-1-[(4-fluoro-N-mesyl-anilino)methyl]propyl]thio]methanethioic acid O-phenethyl ester Formula: C20H21F4NO3S3 MolecularWeight: 495.574253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(CC(F)(F)F)SC(=S)OCCC1=CC=CC=C1)C2=CC=C(C=C2)F

Isomeric SMILES

CS(=O)(=O)N(CC(CC(F)(F)F)SC(=S)OCCC1=CC=CC=C1)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H21F4NO3S3/c1-31(26,27)25(17-9-7-16(21)8-10-17)14-18(13-20(22,23)24)30-19(29)28-12-11-15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3