bis(2-methylsulfonylethyl) 9-methoxy-1,2-dimethyl-8-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate

Systemtic Name: bis(2-methylsulfonylethyl) 9-methoxy-1,2-dimethyl-8-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 8-hydroxy-9-methoxy-1,2-dimethyl-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 8-hydroxy-9-methoxy-1,2-dimethyl-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 8-hydroxy-9-methoxy-1,2-dimethyl-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 8-hydroxy-9-methoxy-1,2-dimethyl-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C22H29NO10S2 MolecularWeight: 531.59636

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2C=C(C(=CN1C)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)O)OC

Isomeric SMILES

CC1C2=CC(=C(C=C2C=C(C(=CN1C)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)O)OC

InChI

InChI=1S/C22H29NO10S2/c1-14-16-12-20(31-3)19(24)11-15(16)10-17(21(25)32-6-8-34(4,27)28)18(13-23(14)2)22(26)33-7-9-35(5,29)30/h10-14,24H,6-9H2,1-5H3