4-methylbenzenesulfonate; (phenylmethyl) 2-azanyl-2-methyl-propanoate

Systemtic Name: 4-methylbenzenesulfonate; (phenylmethyl) 2-azanyl-2-methyl-propanoate Openeye Name: benzyl 2-amino-2-methyl-propanoate; 4-methylbenzenesulfonate CAS Name: 2-amino-2-methylpropanoic acid (phenylmethyl) ester; 4-methylbenzenesulfonate IUPAC Name: benzyl 2-amino-2-methylpropanoate; 4-methylbenzenesulfonate Traditional Name: 2-amino-2-methyl-propionic acid benzyl ester tosylate Formula: C18H22NO5S- MolecularWeight: 364.43598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C(=O)OCC1=CC=CC=C1)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C(=O)OCC1=CC=CC=C1)N

InChI

InChI=1S/C11H15NO2.C7H8O3S/c1-11(2,12)10(13)14-8-9-6-4-3-5-7-9;1-6-2-4-7(5-3-6)11(8,9)10/h3-7H,8,12H2,1-2H3;2-5H,1H3,(H,8,9,10)/p-1