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

Systemtic Name: bis(2-methylsulfonylethyl) 1,2-dimethyl-9-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 9-hydroxy-1,2-dimethyl-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 9-hydroxy-1,2-dimethyl-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 9-hydroxy-1,2-dimethyl-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 9-hydroxy-1,2-dimethyl-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C21H27NO9S2 MolecularWeight: 501.57038

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2)O)C=C(C(=CN1C)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

Isomeric SMILES

CC1C2=C(C=CC(=C2)O)C=C(C(=CN1C)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

InChI

InChI=1S/C21H27NO9S2/c1-14-17-12-16(23)6-5-15(17)11-18(20(24)30-7-9-32(3,26)27)19(13-22(14)2)21(25)31-8-10-33(4,28)29/h5-6,11-14,23H,7-10H2,1-4H3