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

Systemtic Name: bis(2-methylsulfonylethyl) 1-cyclopropyl-9-methoxy-2-[(5-nitrofuran-2-yl)methyl]-8-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 1-cyclopropyl-8-hydroxy-9-methoxy-2-[(5-nitro-2-furyl)methyl]-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 1-cyclopropyl-8-hydroxy-9-methoxy-2-[(5-nitro-2-furanyl)methyl]-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 1-cyclopropyl-8-hydroxy-9-methoxy-2-[(5-nitrofuran-2-yl)methyl]-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 1-cyclopropyl-8-hydroxy-9-methoxy-2-[(5-nitro-2-furyl)methyl]-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C28H32N2O13S2 MolecularWeight: 668.68928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C(C(=CN(C(C2=C1)C3CC3)CC4=CC=C(O4)[N+](=O)[O-])C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)O

Isomeric SMILES

COC1=C(C=C2C=C(C(=CN(C(C2=C1)C3CC3)CC4=CC=C(O4)[N+](=O)[O-])C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)O

InChI

InChI=1S/C28H32N2O13S2/c1-40-24-14-20-18(13-23(24)31)12-21(27(32)41-8-10-44(2,36)37)22(28(33)42-9-11-45(3,38)39)16-29(26(20)17-4-5-17)15-19-6-7-25(43-19)30(34)35/h6-7,12-14,16-17,26,31H,4-5,8-11,15H2,1-3H3