3-[2-(phenylsulfonylamino)ethanoylamino]butanoic acid

Systemtic Name: 3-[2-(phenylsulfonylamino)ethanoylamino]butanoic acid Openeye Name: 3-[[2-(benzenesulfonamido)acetyl]amino]butanoic acid CAS Name: 3-[[2-(benzenesulfonamido)-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-[[2-(benzenesulfonamido)acetyl]amino]butanoic acid Traditional Name: 3-[[2-(benzenesulfonamido)acetyl]amino]butyric acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)CNS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(CC(=O)O)NC(=O)CNS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H16N2O5S/c1-9(7-12(16)17)14-11(15)8-13-20(18,19)10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,14,15)(H,16,17)