bis(2-methylsulfonylethyl) 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-2-ethenyl-4-(3-oxidanylpropyl)-2H-azocine-6,7-dicarboxylate

Systemtic Name: bis(2-methylsulfonylethyl) 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-2-ethenyl-4-(3-oxidanylpropyl)-2H-azocine-6,7-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(3-hydroxypropyl)-2-vinyl-2H-azocine-6,7-dicarboxylate CAS Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethenyl-4-(3-hydroxypropyl)-2H-azocine-6,7-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethenyl-4-(3-hydroxypropyl)-2H-azocine-6,7-dicarboxylate Traditional Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(3-hydroxypropyl)-2-vinyl-2H-azocine-6,7-dicarboxylic acid bis(2-mesylethyl) ester Formula: C28H34BrNO11S2 MolecularWeight: 704.60366

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCOC(=O)C1=CC(=CC(N(C=C1C(=O)OCCS(=O)(=O)C)CC2=CC3=C(C=C2Br)OCO3)C=C)CCCO

Isomeric SMILES

CS(=O)(=O)CCOC(=O)C1=CC(=CC(N(C=C1C(=O)OCCS(=O)(=O)C)CC2=CC3=C(C=C2Br)OCO3)C=C)CCCO

InChI

InChI=1S/C28H34BrNO11S2/c1-4-21-12-19(6-5-7-31)13-22(27(32)38-8-10-42(2,34)35)23(28(33)39-9-11-43(3,36)37)17-30(21)16-20-14-25-26(15-24(20)29)41-18-40-25/h4,12-15,17,21,31H,1,5-11,16,18H2,2-3H3