bis(2-methylsulfonylethyl) 9-oxidanyl-1-thiophen-2-yl-2-[[3-(trifluoromethyloxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate

Systemtic Name: bis(2-methylsulfonylethyl) 9-oxidanyl-1-thiophen-2-yl-2-[[3-(trifluoromethyloxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 9-hydroxy-1-(2-thienyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 9-hydroxy-1-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 9-hydroxy-1-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 9-hydroxy-1-(2-thienyl)-2-[3-(trifluoromethoxy)benzyl]-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C31H30F3NO10S3 MolecularWeight: 729.76081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCOC(=O)C1=CC2=C(C=C(C=C2)O)C(N(C=C1C(=O)OCCS(=O)(=O)C)CC3=CC(=CC=C3)OC(F)(F)F)C4=CC=CS4

Isomeric SMILES

CS(=O)(=O)CCOC(=O)C1=CC2=C(C=C(C=C2)O)C(N(C=C1C(=O)OCCS(=O)(=O)C)CC3=CC(=CC=C3)OC(F)(F)F)C4=CC=CS4

InChI

InChI=1S/C31H30F3NO10S3/c1-47(39,40)13-10-43-29(37)25-16-21-8-9-22(36)17-24(21)28(27-7-4-12-46-27)35(19-26(25)30(38)44-11-14-48(2,41)42)18-20-5-3-6-23(15-20)45-31(32,33)34/h3-9,12,15-17,19,28,36H,10-11,13-14,18H2,1-2H3