[5-(4-methylphenyl)sulfonyloxyheptanoylamino] benzoate

Systemtic Name: [5-(4-methylphenyl)sulfonyloxyheptanoylamino] benzoate Openeye Name: [5-(p-tolylsulfonyloxy)heptanoylamino] benzoate CAS Name: benzoic acid [[5-(4-methylphenyl)sulfonyloxy-1-oxoheptyl]amino] ester IUPAC Name: [5-(4-methylphenyl)sulfonyloxyheptanoylamino] benzoate Traditional Name: benzoic acid (5-tosyloxyheptanoylamino) ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC(=O)NOC(=O)C1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(CCCC(=O)NOC(=O)C1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H25NO6S/c1-3-18(28-29(25,26)19-14-12-16(2)13-15-19)10-7-11-20(23)22-27-21(24)17-8-5-4-6-9-17/h4-6,8-9,12-15,18H,3,7,10-11H2,1-2H3,(H,22,23)