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

Systemtic Name: 4-[methyl-(4-methylphenyl)sulfonyl-amino]butanoic acid Openeye Name: 4-[methyl(p-tolylsulfonyl)amino]butanoic acid CAS Name: 4-[methyl-(4-methylphenyl)sulfonylamino]butanoic acid IUPAC Name: 4-[methyl-(4-methylphenyl)sulfonylamino]butanoic acid Traditional Name: 4-[methyl(tosyl)amino]butyric acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4S/c1-10-5-7-11(8-6-10)18(16,17)13(2)9-3-4-12(14)15/h5-8H,3-4,9H2,1-2H3,(H,14,15)