2-[[4-(2-cyclohexylethylsulfamoyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-(2-cyclohexylethylsulfamoyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-(2-cyclohexylethylsulfamoyl)-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-(2-cyclohexylethylsulfamoyl)-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(2-cyclohexylethylsulfamoyl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-(2-cyclohexylethylsulfamoyl)-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C27H36N2O5S2 MolecularWeight: 532.71514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)S(=O)(=O)NCCC3CCCCC3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)S(=O)(=O)NCCC3CCCCC3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C27H36N2O5S2/c1-19-8-6-7-11-22(19)24-18-21(36(33,34)28-16-14-20-9-4-3-5-10-20)12-13-23(24)26(30)29-25(27(31)32)15-17-35-2/h6-8,11-13,18,20,25,28H,3-5,9-10,14-17H2,1-2H3,(H,29,30)(H,31,32)