3-[3-(phenylsulfonyl)propanoylamino]propanoic acid

Systemtic Name: 3-[3-(phenylsulfonyl)propanoylamino]propanoic acid Openeye Name: 3-[3-(benzenesulfonyl)propanoylamino]propanoic acid CAS Name: 3-[[3-(benzenesulfonyl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[3-(benzenesulfonyl)propanoylamino]propanoic acid Traditional Name: 3-(3-besylpropanoylamino)propionic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5S/c14-11(13-8-6-12(15)16)7-9-19(17,18)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,14)(H,15,16)