2-[(4-methylsulfonylphenyl)carbonylamino]butanoic acid

Systemtic Name: 2-[(4-methylsulfonylphenyl)carbonylamino]butanoic acid Openeye Name: 2-[(4-methylsulfonylbenzoyl)amino]butanoic acid CAS Name: 2-[[(4-methylsulfonylphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 2-[(4-methylsulfonylbenzoyl)amino]butanoic acid Traditional Name: 2-[(4-mesylbenzoyl)amino]butyric acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5S/c1-3-10(12(15)16)13-11(14)8-4-6-9(7-5-8)19(2,17)18/h4-7,10H,3H2,1-2H3,(H,13,14)(H,15,16)