bis(2-methylsulfonylethyl) 2-ethenyl-1-[(5-nitrofuran-2-yl)methyl]-4-(3-oxidanylpropyl)-2H-azocine-6,7-dicarboxylate

Systemtic Name: bis(2-methylsulfonylethyl) 2-ethenyl-1-[(5-nitrofuran-2-yl)methyl]-4-(3-oxidanylpropyl)-2H-azocine-6,7-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 4-(3-hydroxypropyl)-1-[(5-nitro-2-furyl)methyl]-2-vinyl-2H-azocine-6,7-dicarboxylate CAS Name: 2-ethenyl-4-(3-hydroxypropyl)-1-[(5-nitro-2-furanyl)methyl]-2H-azocine-6,7-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 2-ethenyl-4-(3-hydroxypropyl)-1-[(5-nitrofuran-2-yl)methyl]-2H-azocine-6,7-dicarboxylate Traditional Name: 4-(3-hydroxypropyl)-1-[(5-nitro-2-furyl)methyl]-2-vinyl-2H-azocine-6,7-dicarboxylic acid bis(2-mesylethyl) ester Formula: C25H32N2O12S2 MolecularWeight: 616.65778

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCOC(=O)C1=CC(=CC(N(C=C1C(=O)OCCS(=O)(=O)C)CC2=CC=C(O2)[N+](=O)[O-])C=C)CCCO

Isomeric SMILES

CS(=O)(=O)CCOC(=O)C1=CC(=CC(N(C=C1C(=O)OCCS(=O)(=O)C)CC2=CC=C(O2)[N+](=O)[O-])C=C)CCCO

InChI

InChI=1S/C25H32N2O12S2/c1-4-19-14-18(6-5-9-28)15-21(24(29)37-10-12-40(2,33)34)22(25(30)38-11-13-41(3,35)36)17-26(19)16-20-7-8-23(39-20)27(31)32/h4,7-8,14-15,17,19,28H,1,5-6,9-13,16H2,2-3H3