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

Systemtic Name: bis(2-methylsulfonylethyl) 2-ethenyl-1-methyl-4-(3-oxidanylpropyl)-2H-azocine-6,7-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 4-(3-hydroxypropyl)-1-methyl-2-vinyl-2H-azocine-6,7-dicarboxylate CAS Name: 2-ethenyl-4-(3-hydroxypropyl)-1-methyl-2H-azocine-6,7-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 2-ethenyl-4-(3-hydroxypropyl)-1-methyl-2H-azocine-6,7-dicarboxylate Traditional Name: 4-(3-hydroxypropyl)-1-methyl-2-vinyl-2H-azocine-6,7-dicarboxylic acid bis(2-mesylethyl) ester Formula: C21H31NO9S2 MolecularWeight: 505.60214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO9S2/c1-5-17-13-16(7-6-8-23)14-18(20(24)30-9-11-32(3,26)27)19(15-22(17)2)21(25)31-10-12-33(4,28)29/h5,13-15,17,23H,1,6-12H2,2-4H3