2,4-dimethyl-5-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfonyl-benzoic acid

Systemtic Name: 2,4-dimethyl-5-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfonyl-benzoic acid Openeye Name: 5-[2-(allylamino)-2-oxo-ethyl]sulfonyl-2,4-dimethyl-benzoic acid CAS Name: 2,4-dimethyl-5-[2-oxo-2-(prop-2-enylamino)ethyl]sulfonylbenzoic acid IUPAC Name: 2,4-dimethyl-5-[2-oxo-2-(prop-2-enylamino)ethyl]sulfonylbenzoic acid Traditional Name: 5-[2-(allylamino)-2-keto-ethyl]sulfonyl-2,4-dimethyl-benzoic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC(=O)NCC=C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC(=O)NCC=C)C

InChI

InChI=1S/C14H17NO5S/c1-4-5-15-13(16)8-21(19,20)12-7-11(14(17)18)9(2)6-10(12)3/h4,6-7H,1,5,8H2,2-3H3,(H,15,16)(H,17,18)