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

Systemtic Name: bis(2-methylsulfonylethyl) 1-cyclopropyl-2-methyl-9-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 1-cyclopropyl-9-hydroxy-2-methyl-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 1-cyclopropyl-9-hydroxy-2-methyl-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 1-cyclopropyl-9-hydroxy-2-methyl-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 1-cyclopropyl-9-hydroxy-2-methyl-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C23H29NO9S2 MolecularWeight: 527.60766

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=CC2=C(C1C3CC3)C=C(C=C2)O)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

Isomeric SMILES

CN1C=C(C(=CC2=C(C1C3CC3)C=C(C=C2)O)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

InChI

InChI=1S/C23H29NO9S2/c1-24-14-20(23(27)33-9-11-35(3,30)31)19(22(26)32-8-10-34(2,28)29)12-16-6-7-17(25)13-18(16)21(24)15-4-5-15/h6-7,12-15,21,25H,4-5,8-11H2,1-3H3