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

Systemtic Name: 2-[[(E)-3-(phenylsulfonyl)prop-2-enoyl]amino]propanoic acid Openeye Name: 2-[[(E)-3-(benzenesulfonyl)prop-2-enoyl]amino]propanoic acid CAS Name: 2-[[(E)-3-(benzenesulfonyl)-1-oxoprop-2-enyl]amino]propanoic acid IUPAC Name: 2-[[(E)-3-(benzenesulfonyl)prop-2-enoyl]amino]propanoic acid Traditional Name: 2-[[(E)-3-besylacryloyl]amino]propionic acid Formula: C12H13NO5S MolecularWeight: 283.30032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5S/c1-9(12(15)16)13-11(14)7-8-19(17,18)10-5-3-2-4-6-10/h2-9H,1H3,(H,13,14)(H,15,16)/b8-7+