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

Systemtic Name: [3,5-dimethyl-4-[[3-(methylsulfonylamino)-4-oxidanyl-phenyl]methyl]phenoxy]methylphosphonic acid Openeye Name: [4-[[4-hydroxy-3-(methanesulfonamido)phenyl]methyl]-3,5-dimethyl-phenoxy]methylphosphonic acid CAS Name: [4-[[4-hydroxy-3-(methanesulfonamido)phenyl]methyl]-3,5-dimethylphenoxy]methylphosphonic acid IUPAC Name: [4-[[4-hydroxy-3-(methanesulfonamido)phenyl]methyl]-3,5-dimethylphenoxy]methylphosphonic acid Traditional Name: [4-[4-hydroxy-3-(methanesulfonamido)benzyl]-3,5-dimethyl-phenoxy]methylphosphonic acid Formula: C17H22NO7PS MolecularWeight: 415.397841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22NO7PS/c1-11-6-14(25-10-26(20,21)22)7-12(2)15(11)8-13-4-5-17(19)16(9-13)18-27(3,23)24/h4-7,9,18-19H,8,10H2,1-3H3,(H2,20,21,22)