[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-keto-2-[2-(3-methylphenoxy)ethylamino]ethyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NCCOC2=CC=CC(=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NCCOC2=CC=CC(=C2)C

InChI

InChI=1S/C21H25NO6S/c1-16-6-8-19(9-7-16)29(25,26)13-10-21(24)28-15-20(23)22-11-12-27-18-5-3-4-17(2)14-18/h3-9,14H,10-13,15H2,1-2H3,(H,22,23)