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

Systemtic Name: bis(2-methylsulfonylethyl) 1-[(5-nitrofuran-2-yl)methyl]-4-(3-oxidanylpropyl)-2-thiophen-2-yl-2H-azocine-6,7-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 4-(3-hydroxypropyl)-1-[(5-nitro-2-furyl)methyl]-2-(2-thienyl)-2H-azocine-6,7-dicarboxylate CAS Name: 4-(3-hydroxypropyl)-1-[(5-nitro-2-furanyl)methyl]-2-thiophen-2-yl-2H-azocine-6,7-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 4-(3-hydroxypropyl)-1-[(5-nitrofuran-2-yl)methyl]-2-thiophen-2-yl-2H-azocine-6,7-dicarboxylate Traditional Name: 4-(3-hydroxypropyl)-1-[(5-nitro-2-furyl)methyl]-2-(2-thienyl)-2H-azocine-6,7-dicarboxylic acid bis(2-mesylethyl) ester Formula: C27H32N2O12S3 MolecularWeight: 672.74418

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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-])C3=CC=CS3)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-])C3=CC=CS3)CCCO

InChI

InChI=1S/C27H32N2O12S3/c1-43(35,36)13-10-39-26(31)21-15-19(5-3-9-30)16-23(24-6-4-12-42-24)28(17-20-7-8-25(41-20)29(33)34)18-22(21)27(32)40-11-14-44(2,37)38/h4,6-8,12,15-16,18,23,30H,3,5,9-11,13-14,17H2,1-2H3