1-(2-methylphenyl)-2-(prop-2-enoylamino)ethanesulfonic acid

Systemtic Name: 1-(2-methylphenyl)-2-(prop-2-enoylamino)ethanesulfonic acid Openeye Name: 1-(o-tolyl)-2-(prop-2-enoylamino)ethanesulfonic acid CAS Name: 1-(2-methylphenyl)-2-(1-oxoprop-2-enylamino)ethanesulfonic acid IUPAC Name: 1-(2-methylphenyl)-2-(prop-2-enoylamino)ethanesulfonic acid Traditional Name: 2-acrylamido-1-(o-tolyl)ethanesulfonic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4S/c1-3-12(14)13-8-11(18(15,16)17)10-7-5-4-6-9(10)2/h3-7,11H,1,8H2,2H3,(H,13,14)(H,15,16,17)