bis(2-methylsulfonylethyl) 1-methyl-2-[(5-nitrofuran-2-yl)methyl]-9-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate

Systemtic Name: bis(2-methylsulfonylethyl) 1-methyl-2-[(5-nitrofuran-2-yl)methyl]-9-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 9-hydroxy-1-methyl-2-[(5-nitro-2-furyl)methyl]-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 9-hydroxy-1-methyl-2-[(5-nitro-2-furanyl)methyl]-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 9-hydroxy-1-methyl-2-[(5-nitrofuran-2-yl)methyl]-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 9-hydroxy-1-methyl-2-[(5-nitro-2-furyl)methyl]-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C25H28N2O12S2 MolecularWeight: 612.62602

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2)O)C=C(C(=CN1CC3=CC=C(O3)[N+](=O)[O-])C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

Isomeric SMILES

CC1C2=C(C=CC(=C2)O)C=C(C(=CN1CC3=CC=C(O3)[N+](=O)[O-])C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

InChI

InChI=1S/C25H28N2O12S2/c1-16-20-13-18(28)5-4-17(20)12-21(24(29)37-8-10-40(2,33)34)22(25(30)38-9-11-41(3,35)36)15-26(16)14-19-6-7-23(39-19)27(31)32/h4-7,12-13,15-16,28H,8-11,14H2,1-3H3