2-(aminomethyl)-3-(4-methylphenyl)sulfonyl-propanoic acid

Systemtic Name: 2-(aminomethyl)-3-(4-methylphenyl)sulfonyl-propanoic acid Openeye Name: 2-(aminomethyl)-3-(p-tolylsulfonyl)propanoic acid CAS Name: 2-(aminomethyl)-3-(4-methylphenyl)sulfonylpropanoic acid IUPAC Name: 2-(aminomethyl)-3-(4-methylphenyl)sulfonylpropanoic acid Traditional Name: 2-(aminomethyl)-3-tosyl-propionic acid Formula: C11H15NO4S MolecularWeight: 257.3061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO4S/c1-8-2-4-10(5-3-8)17(15,16)7-9(6-12)11(13)14/h2-5,9H,6-7,12H2,1H3,(H,13,14)