bis(2-methylsulfonylethyl) 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-9-methoxy-1-methyl-8-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate

Systemtic Name: bis(2-methylsulfonylethyl) 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-9-methoxy-1-methyl-8-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-8-hydroxy-9-methoxy-1-methyl-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-8-hydroxy-9-methoxy-1-methyl-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-8-hydroxy-9-methoxy-1-methyl-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-8-hydroxy-9-methoxy-1-methyl-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C29H32BrNO12S2 MolecularWeight: 730.59788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2C=C(C(=CN1CC3=CC4=C(C=C3Br)OCO4)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)O)OC

Isomeric SMILES

CC1C2=CC(=C(C=C2C=C(C(=CN1CC3=CC4=C(C=C3Br)OCO4)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)O)OC

InChI

InChI=1S/C29H32BrNO12S2/c1-17-20-12-25(39-2)24(32)10-18(20)9-21(28(33)40-5-7-44(3,35)36)22(29(34)41-6-8-45(4,37)38)15-31(17)14-19-11-26-27(13-23(19)30)43-16-42-26/h9-13,15,17,32H,5-8,14,16H2,1-4H3