bis(2-methylsulfonylethyl) 1-ethenyl-9-methoxy-8-oxidanyl-2-[[3-(trifluoromethyloxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate

Systemtic Name: bis(2-methylsulfonylethyl) 1-ethenyl-9-methoxy-8-oxidanyl-2-[[3-(trifluoromethyloxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 8-hydroxy-9-methoxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1-vinyl-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 1-ethenyl-8-hydroxy-9-methoxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 1-ethenyl-8-hydroxy-9-methoxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 8-hydroxy-9-methoxy-2-[3-(trifluoromethoxy)benzyl]-1-vinyl-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C30H32F3NO11S2 MolecularWeight: 703.70039

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C(C(=CN(C(C2=C1)C=C)CC3=CC(=CC=C3)OC(F)(F)F)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)O

Isomeric SMILES

COC1=C(C=C2C=C(C(=CN(C(C2=C1)C=C)CC3=CC(=CC=C3)OC(F)(F)F)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)O

InChI

InChI=1S/C30H32F3NO11S2/c1-5-25-22-16-27(42-2)26(35)15-20(22)14-23(28(36)43-9-11-46(3,38)39)24(29(37)44-10-12-47(4,40)41)18-34(25)17-19-7-6-8-21(13-19)45-30(31,32)33/h5-8,13-16,18,25,35H,1,9-12,17H2,2-4H3