4-[(2-methyl-5-methylsulfonyl-phenyl)carbonylamino]butanoic acid

Systemtic Name: 4-[(2-methyl-5-methylsulfonyl-phenyl)carbonylamino]butanoic acid Openeye Name: 4-[(2-methyl-5-methylsulfonyl-benzoyl)amino]butanoic acid CAS Name: 4-[[(2-methyl-5-methylsulfonylphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(2-methyl-5-methylsulfonylbenzoyl)amino]butanoic acid Traditional Name: 4-[(5-mesyl-2-methyl-benzoyl)amino]butyric acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5S/c1-9-5-6-10(20(2,18)19)8-11(9)13(17)14-7-3-4-12(15)16/h5-6,8H,3-4,7H2,1-2H3,(H,14,17)(H,15,16)