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

Systemtic Name: bis(2-methylsulfonylethyl) 2-cyclopropyl-1-[(5-nitrofuran-2-yl)methyl]-4-(3-oxidanylpropyl)-2H-azocine-6,7-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 2-cyclopropyl-4-(3-hydroxypropyl)-1-[(5-nitro-2-furyl)methyl]-2H-azocine-6,7-dicarboxylate CAS Name: 2-cyclopropyl-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-cyclopropyl-4-(3-hydroxypropyl)-1-[(5-nitrofuran-2-yl)methyl]-2H-azocine-6,7-dicarboxylate Traditional Name: 2-cyclopropyl-4-(3-hydroxypropyl)-1-[(5-nitro-2-furyl)methyl]-2H-azocine-6,7-dicarboxylic acid bis(2-mesylethyl) ester Formula: C26H34N2O12S2 MolecularWeight: 630.68436

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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-])C3CC3)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-])C3CC3)CCCO

InChI

InChI=1S/C26H34N2O12S2/c1-41(34,35)12-10-38-25(30)21-14-18(4-3-9-29)15-23(19-5-6-19)27(16-20-7-8-24(40-20)28(32)33)17-22(21)26(31)39-11-13-42(2,36)37/h7-8,14-15,17,19,23,29H,3-6,9-13,16H2,1-2H3