bis(2-methylsulfonylethyl) 9-methoxy-1-methyl-2-[(5-nitrofuran-2-yl)methyl]-8-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate

Systemtic Name: bis(2-methylsulfonylethyl) 9-methoxy-1-methyl-2-[(5-nitrofuran-2-yl)methyl]-8-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 8-hydroxy-9-methoxy-1-methyl-2-[(5-nitro-2-furyl)methyl]-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 8-hydroxy-9-methoxy-1-methyl-2-[(5-nitro-2-furanyl)methyl]-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 8-hydroxy-9-methoxy-1-methyl-2-[(5-nitrofuran-2-yl)methyl]-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 8-hydroxy-9-methoxy-1-methyl-2-[(5-nitro-2-furyl)methyl]-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C26H30N2O13S2 MolecularWeight: 642.652

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2C=C(C(=CN1CC3=CC=C(O3)[N+](=O)[O-])C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)O)OC

Isomeric SMILES

CC1C2=CC(=C(C=C2C=C(C(=CN1CC3=CC=C(O3)[N+](=O)[O-])C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)O)OC

InChI

InChI=1S/C26H30N2O13S2/c1-16-19-13-23(38-2)22(29)12-17(19)11-20(25(30)39-7-9-42(3,34)35)21(26(31)40-8-10-43(4,36)37)15-27(16)14-18-5-6-24(41-18)28(32)33/h5-6,11-13,15-16,29H,7-10,14H2,1-4H3