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

Systemtic Name: methyl 4-acetamido-3-[4-(4-methylphenyl)sulfonyloxypentyl]-2-oxidanyl-benzoate Openeye Name: methyl 4-acetamido-2-hydroxy-3-[4-(p-tolylsulfonyloxy)pentyl]benzoate CAS Name: 4-acetamido-2-hydroxy-3-[4-(4-methylphenyl)sulfonyloxypentyl]benzoic acid methyl ester IUPAC Name: methyl 4-acetamido-2-hydroxy-3-[4-(4-methylphenyl)sulfonyloxypentyl]benzoate Traditional Name: 4-acetamido-2-hydroxy-3-(4-tosyloxypentyl)benzoic acid methyl ester Formula: C22H27NO7S MolecularWeight: 449.51728

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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)OC)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO7S/c1-14-8-10-17(11-9-14)31(27,28)30-15(2)6-5-7-18-20(23-16(3)24)13-12-19(21(18)25)22(26)29-4/h8-13,15,25H,5-7H2,1-4H3,(H,23,24)