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

Systemtic Name: methyl 4-acetamido-3-[4-(4-methylphenyl)sulfonyloxybutyl]-2-oxidanyl-benzoate Openeye Name: methyl 4-acetamido-2-hydroxy-3-[4-(p-tolylsulfonyloxy)butyl]benzoate CAS Name: 4-acetamido-2-hydroxy-3-[4-(4-methylphenyl)sulfonyloxybutyl]benzoic acid methyl ester IUPAC Name: methyl 4-acetamido-2-hydroxy-3-[4-(4-methylphenyl)sulfonyloxybutyl]benzoate Traditional Name: 4-acetamido-2-hydroxy-3-(4-tosyloxybutyl)benzoic acid methyl ester Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC2=C(C=CC(=C2O)C(=O)OC)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC2=C(C=CC(=C2O)C(=O)OC)NC(=O)C

InChI

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