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

Systemtic Name: bis(2-methylsulfonylethyl) 4-[4-(hydroxymethyl)phenyl]-1,2-dimethyl-2H-azocine-6,7-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 4-[4-(hydroxymethyl)phenyl]-1,2-dimethyl-2H-azocine-6,7-dicarboxylate CAS Name: 4-[4-(hydroxymethyl)phenyl]-1,2-dimethyl-2H-azocine-6,7-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 4-[4-(hydroxymethyl)phenyl]-1,2-dimethyl-2H-azocine-6,7-dicarboxylate Traditional Name: 1,2-dimethyl-4-(4-methylolphenyl)-2H-azocine-6,7-dicarboxylic acid bis(2-mesylethyl) ester Formula: C24H31NO9S2 MolecularWeight: 541.63424

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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)C2=CC=C(C=C2)CO

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO9S2/c1-17-13-20(19-7-5-18(16-26)6-8-19)14-21(23(27)33-9-11-35(3,29)30)22(15-25(17)2)24(28)34-10-12-36(4,31)32/h5-8,13-15,17,26H,9-12,16H2,1-4H3