methyl 2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]propanoate

Systemtic Name: methyl 2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]propanoate Openeye Name: methyl 2-(3,5-dimethyl-N-methylsulfonyl-anilino)propanoate CAS Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)propanoic acid methyl ester IUPAC Name: methyl 2-(3,5-dimethyl-N-methylsulfonylanilino)propanoate Traditional Name: 2-(N-mesyl-3,5-dimethyl-anilino)propionic acid methyl ester Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4S/c1-9-6-10(2)8-12(7-9)14(19(5,16)17)11(3)13(15)18-4/h6-8,11H,1-5H3