(Z)-3-[[5-(cyclohexylsulfamoyl)-2-octoxy-phenyl]amino]-3-ethoxy-prop-2-enoic acid

Systemtic Name: (Z)-3-[[5-(cyclohexylsulfamoyl)-2-octoxy-phenyl]amino]-3-ethoxy-prop-2-enoic acid Openeye Name: (Z)-3-[5-(cyclohexylsulfamoyl)-2-octoxy-anilino]-3-ethoxy-prop-2-enoic acid CAS Name: (Z)-3-[5-(cyclohexylsulfamoyl)-2-octoxyanilino]-3-ethoxy-2-propenoic acid IUPAC Name: (Z)-3-[5-(cyclohexylsulfamoyl)-2-octoxyanilino]-3-ethoxyprop-2-enoic acid Traditional Name: (Z)-3-[5-(cyclohexylsulfamoyl)-2-octoxy-anilino]-3-ethoxy-acrylic acid Formula: C25H40N2O6S MolecularWeight: 496.6599

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)NC2CCCCC2)NC(=CC(=O)O)OCC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)NC2CCCCC2)N/C(=C/C(=O)O)/OCC

InChI

InChI=1S/C25H40N2O6S/c1-3-5-6-7-8-12-17-33-23-16-15-21(34(30,31)27-20-13-10-9-11-14-20)18-22(23)26-24(32-4-2)19-25(28)29/h15-16,18-20,26-27H,3-14,17H2,1-2H3,(H,28,29)/b24-19-