[3,5-dimethyl-4-[[4-(methylsulfonylamino)-3-propan-2-yl-phenyl]methyl]phenoxy]methylphosphonic acid

Systemtic Name: [3,5-dimethyl-4-[[4-(methylsulfonylamino)-3-propan-2-yl-phenyl]methyl]phenoxy]methylphosphonic acid Openeye Name: [4-[[3-isopropyl-4-(methanesulfonamido)phenyl]methyl]-3,5-dimethyl-phenoxy]methylphosphonic acid CAS Name: [4-[[4-(methanesulfonamido)-3-propan-2-ylphenyl]methyl]-3,5-dimethylphenoxy]methylphosphonic acid IUPAC Name: [4-[[4-(methanesulfonamido)-3-propan-2-ylphenyl]methyl]-3,5-dimethylphenoxy]methylphosphonic acid Traditional Name: [4-[3-isopropyl-4-(methanesulfonamido)benzyl]-3,5-dimethyl-phenoxy]methylphosphonic acid Formula: C20H28NO6PS MolecularWeight: 441.478181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC2=CC(=C(C=C2)NS(=O)(=O)C)C(C)C)C)OCP(=O)(O)O

Isomeric SMILES

CC1=CC(=CC(=C1CC2=CC(=C(C=C2)NS(=O)(=O)C)C(C)C)C)OCP(=O)(O)O

InChI

InChI=1S/C20H28NO6PS/c1-13(2)18-10-16(6-7-20(18)21-29(5,25)26)11-19-14(3)8-17(9-15(19)4)27-12-28(22,23)24/h6-10,13,21H,11-12H2,1-5H3,(H2,22,23,24)