4-acetamido-3-[4-(4-methylphenyl)sulfonyloxypentyl]-2-oxidanyl-benzoate

Systemtic Name: 4-acetamido-3-[4-(4-methylphenyl)sulfonyloxypentyl]-2-oxidanyl-benzoate Openeye Name: 4-acetamido-2-hydroxy-3-[4-(p-tolylsulfonyloxy)pentyl]benzoate CAS Name: 4-acetamido-2-hydroxy-3-[4-(4-methylphenyl)sulfonyloxypentyl]benzoate IUPAC Name: 4-acetamido-2-hydroxy-3-[4-(4-methylphenyl)sulfonyloxypentyl]benzoate Traditional Name: 4-acetamido-2-hydroxy-3-(4-tosyloxypentyl)benzoate Formula: C21H24NO7S- MolecularWeight: 434.48276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CCCC2=C(C=CC(=C2O)C(=O)[O-])NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CCCC2=C(C=CC(=C2O)C(=O)[O-])NC(=O)C

InChI

InChI=1S/C21H25NO7S/c1-13-7-9-16(10-8-13)30(27,28)29-14(2)5-4-6-17-19(22-15(3)23)12-11-18(20(17)24)21(25)26/h7-12,14,24H,4-6H2,1-3H3,(H,22,23)(H,25,26)/p-1