2-methoxy-5-[3-[[5-(methylsulfamoyl)-2-octadecoxy-phenyl]amino]-3-oxidanylidene-propanoyl]benzenesulfonic acid

Systemtic Name: 2-methoxy-5-[3-[[5-(methylsulfamoyl)-2-octadecoxy-phenyl]amino]-3-oxidanylidene-propanoyl]benzenesulfonic acid Openeye Name: 2-methoxy-5-[3-[5-(methylsulfamoyl)-2-octadecoxy-anilino]-3-oxo-propanoyl]benzenesulfonic acid CAS Name: 2-methoxy-5-[3-[5-(methylsulfamoyl)-2-octadecoxyanilino]-1,3-dioxopropyl]benzenesulfonic acid IUPAC Name: 2-methoxy-5-[3-[5-(methylsulfamoyl)-2-octadecoxyanilino]-3-oxopropanoyl]benzenesulfonic acid Traditional Name: 5-[3-keto-3-[5-(methylsulfamoyl)-2-stearyloxy-anilino]propanoyl]-2-methoxy-besylic acid Formula: C35H54N2O9S2 MolecularWeight: 710.94126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)NC)NC(=O)CC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)NC)NC(=O)CC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)O

InChI

InChI=1S/C35H54N2O9S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-46-32-23-21-29(47(40,41)36-2)26-30(32)37-35(39)27-31(38)28-20-22-33(45-3)34(25-28)48(42,43)44/h20-23,25-26,36H,4-19,24,27H2,1-3H3,(H,37,39)(H,42,43,44)