(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 2-[methyl(p-tolylsulfonyl)amino]acetate CAS Name: 2-[methyl-(4-methylphenyl)sulfonylamino]acetic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[methyl(tosyl)amino]acetic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=C(C=C(C(=C2C)C(=O)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=C(C=C(C(=C2C)C(=O)C)C)C

InChI

InChI=1S/C22H27NO5S/c1-14-7-9-19(10-8-14)29(26,27)23(6)12-21(25)28-13-20-15(2)11-16(3)22(17(20)4)18(5)24/h7-11H,12-13H2,1-6H3