3-[(2,4-dimethylphenyl)sulfonylamino]butanoic acid

Systemtic Name: 3-[(2,4-dimethylphenyl)sulfonylamino]butanoic acid Openeye Name: 3-[(2,4-dimethylphenyl)sulfonylamino]butanoic acid CAS Name: 3-[(2,4-dimethylphenyl)sulfonylamino]butanoic acid IUPAC Name: 3-[(2,4-dimethylphenyl)sulfonylamino]butanoic acid Traditional Name: 3-[(2,4-dimethylphenyl)sulfonylamino]butyric acid Formula: C12H17NO4S MolecularWeight: 271.33268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4S/c1-8-4-5-11(9(2)6-8)18(16,17)13-10(3)7-12(14)15/h4-6,10,13H,7H2,1-3H3,(H,14,15)