bis(2-methylsulfonylethyl) 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-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-cyclopropyl-9-methoxy-8-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-8-hydroxy-9-methoxy-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-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-cyclopropyl-8-hydroxy-9-methoxy-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-8-hydroxy-9-methoxy-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C31H34BrNO12S2 MolecularWeight: 756.63516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C(C(=CN(C(C2=C1)C3CC3)CC4=CC5=C(C=C4Br)OCO5)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=CC5=C(C=C4Br)OCO5)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)O

InChI

InChI=1S/C31H34BrNO12S2/c1-41-26-13-21-19(11-25(26)34)10-22(30(35)42-6-8-46(2,37)38)23(31(36)43-7-9-47(3,39)40)16-33(29(21)18-4-5-18)15-20-12-27-28(14-24(20)32)45-17-44-27/h10-14,16,18,29,34H,4-9,15,17H2,1-3H3