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

Systemtic Name: 3-oxidanyl-2-[[(E)-3-(phenylsulfonyl)prop-2-enoyl]amino]butanoic acid Openeye Name: 2-[[(E)-3-(benzenesulfonyl)prop-2-enoyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[(E)-3-(benzenesulfonyl)-1-oxoprop-2-enyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[(E)-3-(benzenesulfonyl)prop-2-enoyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[(E)-3-besylacryloyl]amino]-3-hydroxy-butyric acid Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6S/c1-9(15)12(13(17)18)14-11(16)7-8-21(19,20)10-5-3-2-4-6-10/h2-9,12,15H,1H3,(H,14,16)(H,17,18)/b8-7+