bis(2-methylsulfonylethyl) 1-ethenyl-2-methyl-9-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate

Systemtic Name: bis(2-methylsulfonylethyl) 1-ethenyl-2-methyl-9-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 9-hydroxy-2-methyl-1-vinyl-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 1-ethenyl-9-hydroxy-2-methyl-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 1-ethenyl-9-hydroxy-2-methyl-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 9-hydroxy-2-methyl-1-vinyl-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C22H27NO9S2 MolecularWeight: 513.58108

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=CC2=C(C1C=C)C=C(C=C2)O)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

Isomeric SMILES

CN1C=C(C(=CC2=C(C1C=C)C=C(C=C2)O)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

InChI

InChI=1S/C22H27NO9S2/c1-5-20-17-13-16(24)7-6-15(17)12-18(21(25)31-8-10-33(3,27)28)19(14-23(20)2)22(26)32-9-11-34(4,29)30/h5-7,12-14,20,24H,1,8-11H2,2-4H3