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

Systemtic Name: bis(2-methylsulfonylethyl) 1-ethenyl-9-oxidanyl-2-[[3-(trifluoromethyloxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 9-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1-vinyl-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 1-ethenyl-9-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 1-ethenyl-9-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 9-hydroxy-2-[3-(trifluoromethoxy)benzyl]-1-vinyl-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C29H30F3NO10S2 MolecularWeight: 673.67441

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCOC(=O)C1=CC2=C(C=C(C=C2)O)C(N(C=C1C(=O)OCCS(=O)(=O)C)CC3=CC(=CC=C3)OC(F)(F)F)C=C

Isomeric SMILES

CS(=O)(=O)CCOC(=O)C1=CC2=C(C=C(C=C2)O)C(N(C=C1C(=O)OCCS(=O)(=O)C)CC3=CC(=CC=C3)OC(F)(F)F)C=C

InChI

InChI=1S/C29H30F3NO10S2/c1-4-26-23-16-21(34)9-8-20(23)15-24(27(35)41-10-12-44(2,37)38)25(28(36)42-11-13-45(3,39)40)18-33(26)17-19-6-5-7-22(14-19)43-29(30,31)32/h4-9,14-16,18,26,34H,1,10-13,17H2,2-3H3