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

Systemtic Name: 4-[methyl-(3-methylphenyl)sulfonyl-amino]butanoic acid Openeye Name: 4-[methyl(m-tolylsulfonyl)amino]butanoic acid CAS Name: 4-[methyl-(3-methylphenyl)sulfonylamino]butanoic acid IUPAC Name: 4-[methyl-(3-methylphenyl)sulfonylamino]butanoic acid Traditional Name: 4-[methyl(m-tolylsulfonyl)amino]butyric acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4S/c1-10-5-3-6-11(9-10)18(16,17)13(2)8-4-7-12(14)15/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,15)