2-[[(E)-3-(phenylsulfonyl)prop-2-enoyl]amino]butanoic acid

Systemtic Name: 2-[[(E)-3-(phenylsulfonyl)prop-2-enoyl]amino]butanoic acid Openeye Name: 2-[[(E)-3-(benzenesulfonyl)prop-2-enoyl]amino]butanoic acid CAS Name: 2-[[(E)-3-(benzenesulfonyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 2-[[(E)-3-(benzenesulfonyl)prop-2-enoyl]amino]butanoic acid Traditional Name: 2-[[(E)-3-besylacryloyl]amino]butyric acid Formula: C13H15NO5S MolecularWeight: 297.3269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5S/c1-2-11(13(16)17)14-12(15)8-9-20(18,19)10-6-4-3-5-7-10/h3-9,11H,2H2,1H3,(H,14,15)(H,16,17)/b9-8+