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

Systemtic Name: bis(2-methylsulfonylethyl) 9-methoxy-1-methyl-8-oxidanyl-2-[[3-(trifluoromethyloxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 8-hydroxy-9-methoxy-1-methyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 8-hydroxy-9-methoxy-1-methyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 8-hydroxy-9-methoxy-1-methyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 8-hydroxy-9-methoxy-1-methyl-2-[3-(trifluoromethoxy)benzyl]-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C29H32F3NO11S2 MolecularWeight: 691.68969

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2C=C(C(=CN1CC3=CC(=CC=C3)OC(F)(F)F)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)O)OC

Isomeric SMILES

CC1C2=CC(=C(C=C2C=C(C(=CN1CC3=CC(=CC=C3)OC(F)(F)F)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)O)OC

InChI

InChI=1S/C29H32F3NO11S2/c1-18-22-15-26(41-2)25(34)14-20(22)13-23(27(35)42-8-10-45(3,37)38)24(28(36)43-9-11-46(4,39)40)17-33(18)16-19-6-5-7-21(12-19)44-29(30,31)32/h5-7,12-15,17-18,34H,8-11,16H2,1-4H3