methyl 2-[(2,6-dimethylphenyl)-(2-methylsulfonylethanoyl)amino]propanoate

Systemtic Name: methyl 2-[(2,6-dimethylphenyl)-(2-methylsulfonylethanoyl)amino]propanoate Openeye Name: methyl 2-(2,6-dimethyl-N-(2-methylsulfonylacetyl)anilino)propanoate CAS Name: 2-(2,6-dimethyl-N-(2-methylsulfonyl-1-oxoethyl)anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(2,6-dimethyl-N-(2-methylsulfonylacetyl)anilino)propanoate Traditional Name: 2-(N-(2-mesylacetyl)-2,6-dimethyl-anilino)propionic acid methyl ester Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CS(=O)(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CS(=O)(=O)C

InChI

InChI=1S/C15H21NO5S/c1-10-7-6-8-11(2)14(10)16(12(3)15(18)21-4)13(17)9-22(5,19)20/h6-8,12H,9H2,1-5H3