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

Systemtic Name: bis(2-methylsulfonylethyl) 1-ethenyl-2-[(5-nitrofuran-2-yl)methyl]-9-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 9-hydroxy-2-[(5-nitro-2-furyl)methyl]-1-vinyl-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 1-ethenyl-9-hydroxy-2-[(5-nitro-2-furanyl)methyl]-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 1-ethenyl-9-hydroxy-2-[(5-nitrofuran-2-yl)methyl]-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 9-hydroxy-2-[(5-nitro-2-furyl)methyl]-1-vinyl-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C26H28N2O12S2 MolecularWeight: 624.63672

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCOC(=O)C1=CC2=C(C=C(C=C2)O)C(N(C=C1C(=O)OCCS(=O)(=O)C)CC3=CC=C(O3)[N+](=O)[O-])C=C

Isomeric SMILES

CS(=O)(=O)CCOC(=O)C1=CC2=C(C=C(C=C2)O)C(N(C=C1C(=O)OCCS(=O)(=O)C)CC3=CC=C(O3)[N+](=O)[O-])C=C

InChI

InChI=1S/C26H28N2O12S2/c1-4-23-20-14-18(29)6-5-17(20)13-21(25(30)38-9-11-41(2,34)35)22(26(31)39-10-12-42(3,36)37)16-27(23)15-19-7-8-24(40-19)28(32)33/h4-8,13-14,16,23,29H,1,9-12,15H2,2-3H3