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

Systemtic Name: bis(2-methylsulfonylethyl) 2-methyl-1-[(5-nitrofuran-2-yl)methyl]-4-(3-oxidanylpropyl)-2H-azocine-6,7-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 4-(3-hydroxypropyl)-2-methyl-1-[(5-nitro-2-furyl)methyl]-2H-azocine-6,7-dicarboxylate CAS Name: 4-(3-hydroxypropyl)-2-methyl-1-[(5-nitro-2-furanyl)methyl]-2H-azocine-6,7-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 4-(3-hydroxypropyl)-2-methyl-1-[(5-nitrofuran-2-yl)methyl]-2H-azocine-6,7-dicarboxylate Traditional Name: 4-(3-hydroxypropyl)-2-methyl-1-[(5-nitro-2-furyl)methyl]-2H-azocine-6,7-dicarboxylic acid bis(2-mesylethyl) ester Formula: C24H32N2O12S2 MolecularWeight: 604.64708

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C=C(C(=CN1CC2=CC=C(O2)[N+](=O)[O-])C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)CCCO

Isomeric SMILES

CC1C=C(C=C(C(=CN1CC2=CC=C(O2)[N+](=O)[O-])C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)CCCO

InChI

InChI=1S/C24H32N2O12S2/c1-17-13-18(5-4-8-27)14-20(23(28)36-9-11-39(2,32)33)21(24(29)37-10-12-40(3,34)35)16-25(17)15-19-6-7-22(38-19)26(30)31/h6-7,13-14,16-17,27H,4-5,8-12,15H2,1-3H3