bis(2-methylsulfonylethyl) 2-ethenyl-4-[4-(hydroxymethyl)phenyl]-1-methyl-2H-azocine-6,7-dicarboxylate

Systemtic Name: bis(2-methylsulfonylethyl) 2-ethenyl-4-[4-(hydroxymethyl)phenyl]-1-methyl-2H-azocine-6,7-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 4-[4-(hydroxymethyl)phenyl]-1-methyl-2-vinyl-2H-azocine-6,7-dicarboxylate CAS Name: 2-ethenyl-4-[4-(hydroxymethyl)phenyl]-1-methyl-2H-azocine-6,7-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 2-ethenyl-4-[4-(hydroxymethyl)phenyl]-1-methyl-2H-azocine-6,7-dicarboxylate Traditional Name: 1-methyl-4-(4-methylolphenyl)-2-vinyl-2H-azocine-6,7-dicarboxylic acid bis(2-mesylethyl) ester Formula: C25H31NO9S2 MolecularWeight: 553.64494

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=CC(=CC1C=C)C2=CC=C(C=C2)CO)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

Isomeric SMILES

CN1C=C(C(=CC(=CC1C=C)C2=CC=C(C=C2)CO)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

InChI

InChI=1S/C25H31NO9S2/c1-5-21-14-20(19-8-6-18(17-27)7-9-19)15-22(24(28)34-10-12-36(3,30)31)23(16-26(21)2)25(29)35-11-13-37(4,32)33/h5-9,14-16,21,27H,1,10-13,17H2,2-4H3