bis(2-methylsulfonylethyl) 2-methyl-9-oxidanyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylate

Systemtic Name: bis(2-methylsulfonylethyl) 2-methyl-9-oxidanyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 9-hydroxy-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 9-hydroxy-2-methyl-1-[4-(1-pyrrolidinylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 9-hydroxy-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 9-hydroxy-2-methyl-1-[4-(pyrrolidinomethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C31H38N2O9S2 MolecularWeight: 646.77142

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=CC2=C(C1C3=CC=C(C=C3)CN4CCCC4)C=C(C=C2)O)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

Isomeric SMILES

CN1C=C(C(=CC2=C(C1C3=CC=C(C=C3)CN4CCCC4)C=C(C=C2)O)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

InChI

InChI=1S/C31H38N2O9S2/c1-32-21-28(31(36)42-15-17-44(3,39)40)27(30(35)41-14-16-43(2,37)38)18-24-10-11-25(34)19-26(24)29(32)23-8-6-22(7-9-23)20-33-12-4-5-13-33/h6-11,18-19,21,29,34H,4-5,12-17,20H2,1-3H3