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

Systemtic Name: bis(2-methylsulfonylethyl) 2-cyclopropyl-4-[4-(hydroxymethyl)phenyl]-1-methyl-2H-azocine-6,7-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 2-cyclopropyl-4-[4-(hydroxymethyl)phenyl]-1-methyl-2H-azocine-6,7-dicarboxylate CAS Name: 2-cyclopropyl-4-[4-(hydroxymethyl)phenyl]-1-methyl-2H-azocine-6,7-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 2-cyclopropyl-4-[4-(hydroxymethyl)phenyl]-1-methyl-2H-azocine-6,7-dicarboxylate Traditional Name: 2-cyclopropyl-1-methyl-4-(4-methylolphenyl)-2H-azocine-6,7-dicarboxylic acid bis(2-mesylethyl) ester Formula: C26H33NO9S2 MolecularWeight: 567.67152

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=CC(=CC1C2CC2)C3=CC=C(C=C3)CO)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

Isomeric SMILES

CN1C=C(C(=CC(=CC1C2CC2)C3=CC=C(C=C3)CO)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

InChI

InChI=1S/C26H33NO9S2/c1-27-16-23(26(30)36-11-13-38(3,33)34)22(25(29)35-10-12-37(2,31)32)14-21(15-24(27)20-8-9-20)19-6-4-18(17-28)5-7-19/h4-7,14-16,20,24,28H,8-13,17H2,1-3H3