bis(2-methylsulfonylethyl) 1-methyl-9-oxidanyl-2-[[3-(trifluoromethyloxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate

Systemtic Name: bis(2-methylsulfonylethyl) 1-methyl-9-oxidanyl-2-[[3-(trifluoromethyloxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 9-hydroxy-1-methyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 9-hydroxy-1-methyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 9-hydroxy-1-methyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 9-hydroxy-1-methyl-2-[3-(trifluoromethoxy)benzyl]-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C28H30F3NO10S2 MolecularWeight: 661.66371

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2)O)C=C(C(=CN1CC3=CC(=CC=C3)OC(F)(F)F)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

Isomeric SMILES

CC1C2=C(C=CC(=C2)O)C=C(C(=CN1CC3=CC(=CC=C3)OC(F)(F)F)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

InChI

InChI=1S/C28H30F3NO10S2/c1-18-23-15-21(33)8-7-20(23)14-24(26(34)40-9-11-43(2,36)37)25(27(35)41-10-12-44(3,38)39)17-32(18)16-19-5-4-6-22(13-19)42-28(29,30)31/h4-8,13-15,17-18,33H,9-12,16H2,1-3H3