3-[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]sulfonylbenzoic acid

Systemtic Name: 3-[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]sulfonylbenzoic acid Openeye Name: 3-[2-(allylamino)-1-methyl-2-oxo-ethyl]sulfonylbenzoic acid CAS Name: 3-[1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfonylbenzoic acid IUPAC Name: 3-[1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfonylbenzoic acid Traditional Name: 3-[2-(allylamino)-2-keto-1-methyl-ethyl]sulfonylbenzoic acid Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)S(=O)(=O)C1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CC(C(=O)NCC=C)S(=O)(=O)C1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C13H15NO5S/c1-3-7-14-12(15)9(2)20(18,19)11-6-4-5-10(8-11)13(16)17/h3-6,8-9H,1,7H2,2H3,(H,14,15)(H,16,17)