4-methylbenzenesulfonate; (phenylmethyl) 1-azanylcyclobutane-1-carboxylate

Systemtic Name: 4-methylbenzenesulfonate; (phenylmethyl) 1-azanylcyclobutane-1-carboxylate Openeye Name: benzyl 1-aminocyclobutanecarboxylate; 4-methylbenzenesulfonate CAS Name: 1-amino-1-cyclobutanecarboxylic acid (phenylmethyl) ester; 4-methylbenzenesulfonate IUPAC Name: benzyl 1-aminocyclobutane-1-carboxylate; 4-methylbenzenesulfonate Traditional Name: 1-aminocyclobutanecarboxylic acid benzyl ester tosylate Formula: C19H22NO5S- MolecularWeight: 376.44668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC(C1)(C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC(C1)(C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C12H15NO2.C7H8O3S/c13-12(7-4-8-12)11(14)15-9-10-5-2-1-3-6-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,5-6H,4,7-9,13H2;2-5H,1H3,(H,8,9,10)/p-1