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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5S/c1-13(9-12(15)16)11(14)7-8-19(17,18)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,15,16)/b8-7+