5-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentylsulfamoyl]-2-methyl-benzoic acid

Systemtic Name: 5-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentylsulfamoyl]-2-methyl-benzoic acid Openeye Name: 5-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentylsulfamoyl]-2-methyl-benzoic acid CAS Name: 5-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentylsulfamoyl]-2-methylbenzoic acid IUPAC Name: 5-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentylsulfamoyl]-2-methylbenzoic acid Traditional Name: 5-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentylsulfamoyl]-2-methyl-benzoic acid Formula: C22H25N3O6S MolecularWeight: 459.5154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCCCCC2=NC(=NO2)C3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCCCCC2=NC(=NO2)C3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C22H25N3O6S/c1-15-7-12-18(14-19(15)22(26)27)32(28,29)23-13-5-3-4-6-20-24-21(25-31-20)16-8-10-17(30-2)11-9-16/h7-12,14,23H,3-6,13H2,1-2H3,(H,26,27)