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

Systemtic Name: bis(2-methylsulfonylethyl) 1-cyclopropyl-2-[(5-nitrofuran-2-yl)methyl]-9-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 1-cyclopropyl-9-hydroxy-2-[(5-nitro-2-furyl)methyl]-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 1-cyclopropyl-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-cyclopropyl-9-hydroxy-2-[(5-nitrofuran-2-yl)methyl]-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 1-cyclopropyl-9-hydroxy-2-[(5-nitro-2-furyl)methyl]-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C27H30N2O12S2 MolecularWeight: 638.6633

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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-])C4CC4

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-])C4CC4

InChI

InChI=1S/C27H30N2O12S2/c1-42(35,36)11-9-39-26(31)22-13-18-5-6-19(30)14-21(18)25(17-3-4-17)28(15-20-7-8-24(41-20)29(33)34)16-23(22)27(32)40-10-12-43(2,37)38/h5-8,13-14,16-17,25,30H,3-4,9-12,15H2,1-2H3