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

Systemtic Name: bis(2-methylsulfonylethyl) 1-cyclopropyl-9-methoxy-8-oxidanyl-2-[[3-(trifluoromethyloxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 1-cyclopropyl-8-hydroxy-9-methoxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 1-cyclopropyl-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-cyclopropyl-8-hydroxy-9-methoxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 1-cyclopropyl-8-hydroxy-9-methoxy-2-[3-(trifluoromethoxy)benzyl]-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C31H34F3NO11S2 MolecularWeight: 717.72697

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C(C(=CN(C(C2=C1)C3CC3)CC4=CC(=CC=C4)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)C3CC3)CC4=CC(=CC=C4)OC(F)(F)F)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)O

InChI

InChI=1S/C31H34F3NO11S2/c1-43-27-16-23-21(15-26(27)36)14-24(29(37)44-9-11-47(2,39)40)25(30(38)45-10-12-48(3,41)42)18-35(28(23)20-7-8-20)17-19-5-4-6-22(13-19)46-31(32,33)34/h4-6,13-16,18,20,28,36H,7-12,17H2,1-3H3