4-[2-(3-methylsulfonylpropanoylamino)ethyl]benzoic acid

Systemtic Name: 4-[2-(3-methylsulfonylpropanoylamino)ethyl]benzoic acid Openeye Name: 4-[2-(3-methylsulfonylpropanoylamino)ethyl]benzoic acid CAS Name: 4-[2-[(3-methylsulfonyl-1-oxopropyl)amino]ethyl]benzoic acid IUPAC Name: 4-[2-(3-methylsulfonylpropanoylamino)ethyl]benzoic acid Traditional Name: 4-[2-(3-mesylpropanoylamino)ethyl]benzoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(=O)NCCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CS(=O)(=O)CCC(=O)NCCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H17NO5S/c1-20(18,19)9-7-12(15)14-8-6-10-2-4-11(5-3-10)13(16)17/h2-5H,6-9H2,1H3,(H,14,15)(H,16,17)