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

Systemtic Name: 4-[methyl-[(E)-3-(phenylsulfonyl)prop-2-enoyl]amino]butanoic acid Openeye Name: 4-[[(E)-3-(benzenesulfonyl)prop-2-enoyl]-methyl-amino]butanoic acid CAS Name: 4-[[(E)-3-(benzenesulfonyl)-1-oxoprop-2-enyl]-methylamino]butanoic acid IUPAC Name: 4-[[(E)-3-(benzenesulfonyl)prop-2-enoyl]-methylamino]butanoic acid Traditional Name: 4-[[(E)-3-besylacryloyl]-methyl-amino]butyric acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5S/c1-15(10-5-8-14(17)18)13(16)9-11-21(19,20)12-6-3-2-4-7-12/h2-4,6-7,9,11H,5,8,10H2,1H3,(H,17,18)/b11-9+