2-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]ethanoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]ethanoic acid Openeye Name: 2-[allyl(p-tolylsulfonyl)amino]acetic acid CAS Name: 2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetic acid IUPAC Name: 2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetic acid Traditional Name: 2-[allyl(tosyl)amino]acetic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)CC(=O)O

InChI

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