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

Systemtic Name: bis(2-methylsulfonylethyl) 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-ethenyl-9-methoxy-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-vinyl-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-ethenyl-8-hydroxy-9-methoxy-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]-1-ethenyl-8-hydroxy-9-methoxy-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-8-hydroxy-9-methoxy-1-vinyl-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C30H32BrNO12S2 MolecularWeight: 742.60858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C(C(=CN(C(C2=C1)C=C)CC3=CC4=C(C=C3Br)OCO4)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=CC4=C(C=C3Br)OCO4)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)O

InChI

InChI=1S/C30H32BrNO12S2/c1-5-24-20-13-26(40-2)25(33)11-18(20)10-21(29(34)41-6-8-45(3,36)37)22(30(35)42-7-9-46(4,38)39)16-32(24)15-19-12-27-28(14-23(19)31)44-17-43-27/h5,10-14,16,24,33H,1,6-9,15,17H2,2-4H3