3-[(4-methylsulfonylphenyl)carbonylamino]butanoic acid

Systemtic Name: 3-[(4-methylsulfonylphenyl)carbonylamino]butanoic acid Openeye Name: 3-[(4-methylsulfonylbenzoyl)amino]butanoic acid CAS Name: 3-[[(4-methylsulfonylphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-[(4-methylsulfonylbenzoyl)amino]butanoic acid Traditional Name: 3-[(4-mesylbenzoyl)amino]butyric acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5S/c1-8(7-11(14)15)13-12(16)9-3-5-10(6-4-9)19(2,17)18/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15)