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

Systemtic Name: bis(2-methylsulfonylethyl) 2-cyclopropyl-1-methyl-4-(3-oxidanylpropyl)-2H-azocine-6,7-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 2-cyclopropyl-4-(3-hydroxypropyl)-1-methyl-2H-azocine-6,7-dicarboxylate CAS Name: 2-cyclopropyl-4-(3-hydroxypropyl)-1-methyl-2H-azocine-6,7-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 2-cyclopropyl-4-(3-hydroxypropyl)-1-methyl-2H-azocine-6,7-dicarboxylate Traditional Name: 2-cyclopropyl-4-(3-hydroxypropyl)-1-methyl-2H-azocine-6,7-dicarboxylic acid bis(2-mesylethyl) ester Formula: C22H33NO9S2 MolecularWeight: 519.62872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=CC(=CC1C2CC2)CCCO)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

Isomeric SMILES

CN1C=C(C(=CC(=CC1C2CC2)CCCO)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

InChI

InChI=1S/C22H33NO9S2/c1-23-15-19(22(26)32-10-12-34(3,29)30)18(21(25)31-9-11-33(2,27)28)13-16(5-4-8-24)14-20(23)17-6-7-17/h13-15,17,20,24H,4-12H2,1-3H3