4-[(2,5-dimethylphenyl)sulfonylamino]butanoic acid

Systemtic Name: 4-[(2,5-dimethylphenyl)sulfonylamino]butanoic acid Openeye Name: 4-[(2,5-dimethylphenyl)sulfonylamino]butanoic acid CAS Name: 4-[(2,5-dimethylphenyl)sulfonylamino]butanoic acid IUPAC Name: 4-[(2,5-dimethylphenyl)sulfonylamino]butanoic acid Traditional Name: 4-[(2,5-dimethylphenyl)sulfonylamino]butyric acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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