bis(2-methylsulfonylethyl) 9-methoxy-2-methyl-8-oxidanyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylate

Systemtic Name: bis(2-methylsulfonylethyl) 9-methoxy-2-methyl-8-oxidanyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 8-hydroxy-9-methoxy-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 8-hydroxy-9-methoxy-2-methyl-1-[4-(1-pyrrolidinylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 8-hydroxy-9-methoxy-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 8-hydroxy-9-methoxy-2-methyl-1-[4-(pyrrolidinomethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C32H40N2O10S2 MolecularWeight: 676.7974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=CC2=CC(=C(C=C2C1C3=CC=C(C=C3)CN4CCCC4)OC)O)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

Isomeric SMILES

CN1C=C(C(=CC2=CC(=C(C=C2C1C3=CC=C(C=C3)CN4CCCC4)OC)O)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

InChI

InChI=1S/C32H40N2O10S2/c1-33-21-27(32(37)44-14-16-46(4,40)41)26(31(36)43-13-15-45(3,38)39)17-24-18-28(35)29(42-2)19-25(24)30(33)23-9-7-22(8-10-23)20-34-11-5-6-12-34/h7-10,17-19,21,30,35H,5-6,11-16,20H2,1-4H3