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

Systemtic Name: methyl 4-acetamido-3-[2-methyl-2-(4-methylphenyl)sulfonyloxy-pentyl]-2-oxidanyl-benzoate Openeye Name: methyl 4-acetamido-2-hydroxy-3-[2-methyl-2-(p-tolylsulfonyloxy)pentyl]benzoate CAS Name: 4-acetamido-2-hydroxy-3-[2-methyl-2-(4-methylphenyl)sulfonyloxypentyl]benzoic acid methyl ester IUPAC Name: methyl 4-acetamido-2-hydroxy-3-[2-methyl-2-(4-methylphenyl)sulfonyloxypentyl]benzoate Traditional Name: 4-acetamido-2-hydroxy-3-(2-methyl-2-tosyloxy-pentyl)benzoic acid methyl ester Formula: C23H29NO7S MolecularWeight: 463.54386

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(CC1=C(C=CC(=C1O)C(=O)OC)NC(=O)C)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC(C)(CC1=C(C=CC(=C1O)C(=O)OC)NC(=O)C)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C23H29NO7S/c1-6-13-23(4,31-32(28,29)17-9-7-15(2)8-10-17)14-19-20(24-16(3)25)12-11-18(21(19)26)22(27)30-5/h7-12,26H,6,13-14H2,1-5H3,(H,24,25)