bis(2-methylsulfonylethyl) 1-methyl-4-(3-oxidanylpropyl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]-2H-azocine-6,7-dicarboxylate

Systemtic Name: bis(2-methylsulfonylethyl) 1-methyl-4-(3-oxidanylpropyl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]-2H-azocine-6,7-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 4-(3-hydroxypropyl)-1-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]-2H-azocine-6,7-dicarboxylate CAS Name: 4-(3-hydroxypropyl)-1-methyl-2-[4-(1-pyrrolidinylmethyl)phenyl]-2H-azocine-6,7-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 4-(3-hydroxypropyl)-1-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]-2H-azocine-6,7-dicarboxylate Traditional Name: 4-(3-hydroxypropyl)-1-methyl-2-[4-(pyrrolidinomethyl)phenyl]-2H-azocine-6,7-dicarboxylic acid bis(2-mesylethyl) ester Formula: C30H42N2O9S2 MolecularWeight: 638.79248

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=CC(=CC1C2=CC=C(C=C2)CN3CCCC3)CCCO)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

Isomeric SMILES

CN1C=C(C(=CC(=CC1C2=CC=C(C=C2)CN3CCCC3)CCCO)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

InChI

InChI=1S/C30H42N2O9S2/c1-31-22-27(30(35)41-16-18-43(3,38)39)26(29(34)40-15-17-42(2,36)37)19-24(7-6-14-33)20-28(31)25-10-8-23(9-11-25)21-32-12-4-5-13-32/h8-11,19-20,22,28,33H,4-7,12-18,21H2,1-3H3