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

Systemtic Name: bis(2-methylsulfonylethyl) 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-9-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-9-hydroxy-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-9-hydroxy-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-cyclopropyl-9-hydroxy-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-9-hydroxy-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C30H32BrNO11S2 MolecularWeight: 726.60918

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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=CC4=C(C=C3Br)OCO4)C5CC5

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=CC4=C(C=C3Br)OCO4)C5CC5

InChI

InChI=1S/C30H32BrNO11S2/c1-44(36,37)9-7-40-29(34)23-11-19-5-6-21(33)13-22(19)28(18-3-4-18)32(16-24(23)30(35)41-8-10-45(2,38)39)15-20-12-26-27(14-25(20)31)43-17-42-26/h5-6,11-14,16,18,28,33H,3-4,7-10,15,17H2,1-2H3