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

Systemtic Name: 4-methylbenzenesulfonate; (phenylmethyl) 1-azanylcyclopentane-1-carboxylate Openeye Name: benzyl 1-aminocyclopentanecarboxylate; 4-methylbenzenesulfonate CAS Name: 1-amino-1-cyclopentanecarboxylic acid (phenylmethyl) ester; 4-methylbenzenesulfonate IUPAC Name: benzyl 1-aminocyclopentane-1-carboxylate; 4-methylbenzenesulfonate Traditional Name: 1-aminocyclopentanecarboxylic acid benzyl ester tosylate Formula: C20H24NO5S- MolecularWeight: 390.47326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCC(C1)(C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCC(C1)(C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C13H17NO2.C7H8O3S/c14-13(8-4-5-9-13)12(15)16-10-11-6-2-1-3-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,6-7H,4-5,8-10,14H2;2-5H,1H3,(H,8,9,10)/p-1