methyl 3-(phenylmethylsulfanyl)-2-[[4-(trifluoromethyloxy)phenyl]sulfonylamino]propanoate

Systemtic Name: methyl 3-(phenylmethylsulfanyl)-2-[[4-(trifluoromethyloxy)phenyl]sulfonylamino]propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoate CAS Name: 3-(phenylmethylthio)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propionic acid methyl ester Formula: C18H18F3NO5S2 MolecularWeight: 449.46443

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

COC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C18H18F3NO5S2/c1-26-17(23)16(12-28-11-13-5-3-2-4-6-13)22-29(24,25)15-9-7-14(8-10-15)27-18(19,20)21/h2-10,16,22H,11-12H2,1H3