2-diethoxyphosphoryl-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]propanoic acid

Systemtic Name: 2-diethoxyphosphoryl-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]propanoic acid Openeye Name: 2-diethoxyphosphoryl-3-[1-(p-tolylsulfonyl)imidazol-4-yl]propanoic acid CAS Name: 2-diethoxyphosphoryl-3-[1-(4-methylphenyl)sulfonyl-4-imidazolyl]propanoic acid IUPAC Name: 2-diethoxyphosphoryl-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]propanoic acid Traditional Name: 2-diethoxyphosphoryl-3-(1-tosylimidazol-4-yl)propionic acid Formula: C17H23N2O7PS MolecularWeight: 430.412481

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CC1=CN(C=N1)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)O)OCC

Isomeric SMILES

CCOP(=O)(C(CC1=CN(C=N1)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)O)OCC

InChI

InChI=1S/C17H23N2O7PS/c1-4-25-27(22,26-5-2)16(17(20)21)10-14-11-19(12-18-14)28(23,24)15-8-6-13(3)7-9-15/h6-9,11-12,16H,4-5,10H2,1-3H3,(H,20,21)