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

Systemtic Name: bis(2-methylsulfonylethyl) 2-[(5-nitrofuran-2-yl)methyl]-9-oxidanyl-1-thiophen-2-yl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 9-hydroxy-2-[(5-nitro-2-furyl)methyl]-1-(2-thienyl)-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 9-hydroxy-2-[(5-nitro-2-furanyl)methyl]-1-thiophen-2-yl-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 9-hydroxy-2-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-yl-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 9-hydroxy-2-[(5-nitro-2-furyl)methyl]-1-(2-thienyl)-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C28H28N2O12S3 MolecularWeight: 680.72312

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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-])C4=CC=CS4

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-])C4=CC=CS4

InChI

InChI=1S/C28H28N2O12S3/c1-44(36,37)12-9-40-27(32)22-14-18-5-6-19(31)15-21(18)26(24-4-3-11-43-24)29(16-20-7-8-25(42-20)30(34)35)17-23(22)28(33)41-10-13-45(2,38)39/h3-8,11,14-15,17,26,31H,9-10,12-13,16H2,1-2H3