[6-[[3-(4-methylsulfonylphenoxy)-5-propan-2-yloxy-phenyl]carbonylamino]pyridin-3-yl]phosphonic acid

Systemtic Name: [6-[[3-(4-methylsulfonylphenoxy)-5-propan-2-yloxy-phenyl]carbonylamino]pyridin-3-yl]phosphonic acid Openeye Name: [6-[[3-isopropoxy-5-(4-methylsulfonylphenoxy)benzoyl]amino]-3-pyridyl]phosphonic acid CAS Name: [6-[[[3-(4-methylsulfonylphenoxy)-5-propan-2-yloxyphenyl]-oxomethyl]amino]-3-pyridinyl]phosphonic acid IUPAC Name: [6-[[3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzoyl]amino]pyridin-3-yl]phosphonic acid Traditional Name: [6-[[3-isopropoxy-5-(4-mesylphenoxy)benzoyl]amino]-3-pyridyl]phosphonic acid Formula: C22H23N2O8PS MolecularWeight: 506.465381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)C)C(=O)NC3=NC=C(C=C3)P(=O)(O)O

Isomeric SMILES

CC(C)OC1=CC(=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)C)C(=O)NC3=NC=C(C=C3)P(=O)(O)O

InChI

InChI=1S/C22H23N2O8PS/c1-14(2)31-17-10-15(22(25)24-21-9-6-19(13-23-21)33(26,27)28)11-18(12-17)32-16-4-7-20(8-5-16)34(3,29)30/h4-14H,1-3H3,(H,23,24,25)(H2,26,27,28)