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

Systemtic Name: bis(2-methylsulfonylethyl) 1-cyclopropyl-9-oxidanyl-2-[[3-(trifluoromethyloxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 1-cyclopropyl-9-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 1-cyclopropyl-9-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 1-cyclopropyl-9-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 1-cyclopropyl-9-hydroxy-2-[3-(trifluoromethoxy)benzyl]-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C30H32F3NO10S2 MolecularWeight: 687.70099

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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)C4CC4

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)C4CC4

InChI

InChI=1S/C30H32F3NO10S2/c1-45(38,39)12-10-42-28(36)25-15-21-8-9-22(35)16-24(21)27(20-6-7-20)34(18-26(25)29(37)43-11-13-46(2,40)41)17-19-4-3-5-23(14-19)44-30(31,32)33/h3-5,8-9,14-16,18,20,27,35H,6-7,10-13,17H2,1-2H3