2-[(3-methylsulfonylphenyl)carbonylamino]pentanoic acid

Systemtic Name: 2-[(3-methylsulfonylphenyl)carbonylamino]pentanoic acid Openeye Name: 2-[(3-methylsulfonylbenzoyl)amino]pentanoic acid CAS Name: 2-[[(3-methylsulfonylphenyl)-oxomethyl]amino]pentanoic acid IUPAC Name: 2-[(3-methylsulfonylbenzoyl)amino]pentanoic acid Traditional Name: 2-[(3-mesylbenzoyl)amino]valeric acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5S/c1-3-5-11(13(16)17)14-12(15)9-6-4-7-10(8-9)20(2,18)19/h4,6-8,11H,3,5H2,1-2H3,(H,14,15)(H,16,17)