4-methylsulfonyl-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butanoic acid

Systemtic Name: 4-methylsulfonyl-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butanoic acid Openeye Name: 4-methylsulfonyl-2-[[(E)-3-(3-pyridyl)prop-2-enoyl]amino]butanoic acid CAS Name: 4-methylsulfonyl-2-[[(E)-1-oxo-3-(3-pyridinyl)prop-2-enyl]amino]butanoic acid IUPAC Name: 4-methylsulfonyl-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butanoic acid Traditional Name: 4-mesyl-2-[[(E)-3-(3-pyridyl)acryloyl]amino]butyric acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)C=CC1=CN=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5S/c1-21(19,20)8-6-11(13(17)18)15-12(16)5-4-10-3-2-7-14-9-10/h2-5,7,9,11H,6,8H2,1H3,(H,15,16)(H,17,18)/b5-4+