bis(2-methylsulfonylethyl) 1,2-dimethyl-4-(3-oxidanylpropyl)-2H-azocine-6,7-dicarboxylate

Systemtic Name: bis(2-methylsulfonylethyl) 1,2-dimethyl-4-(3-oxidanylpropyl)-2H-azocine-6,7-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 4-(3-hydroxypropyl)-1,2-dimethyl-2H-azocine-6,7-dicarboxylate CAS Name: 4-(3-hydroxypropyl)-1,2-dimethyl-2H-azocine-6,7-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 4-(3-hydroxypropyl)-1,2-dimethyl-2H-azocine-6,7-dicarboxylate Traditional Name: 4-(3-hydroxypropyl)-1,2-dimethyl-2H-azocine-6,7-dicarboxylic acid bis(2-mesylethyl) ester Formula: C20H31NO9S2 MolecularWeight: 493.59144

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C=C(C(=CN1C)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)CCCO

Isomeric SMILES

CC1C=C(C=C(C(=CN1C)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)CCCO

InChI

InChI=1S/C20H31NO9S2/c1-15-12-16(6-5-7-22)13-17(19(23)29-8-10-31(3,25)26)18(14-21(15)2)20(24)30-9-11-32(4,27)28/h12-15,22H,5-11H2,1-4H3