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

Systemtic Name: methyl 2-[[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]propanoate CAS Name: 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]propionic acid methyl ester Formula: C18H17BrF3NO5S2 MolecularWeight: 528.36049

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrF3NO5S2/c1-27-17(24)14(11-29-10-12-5-3-2-4-6-12)23-30(25,26)16-8-7-13(19)9-15(16)28-18(20,21)22/h2-9,14,23H,10-11H2,1H3