3-methyl-2-[methyl-(4-methylphenyl)sulfonyl-amino]butanoic acid

Systemtic Name: 3-methyl-2-[methyl-(4-methylphenyl)sulfonyl-amino]butanoic acid Openeye Name: 3-methyl-2-[methyl(p-tolylsulfonyl)amino]butanoic acid CAS Name: 3-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]butanoic acid IUPAC Name: 3-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]butanoic acid Traditional Name: 3-methyl-2-[methyl(tosyl)amino]butyric acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4S/c1-9(2)12(13(15)16)14(4)19(17,18)11-7-5-10(3)6-8-11/h5-9,12H,1-4H3,(H,15,16)