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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5S/c1-10(9-13(16)17)14-12(15)7-8-20(18,19)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,14,15)(H,16,17)/b8-7+