4-methylbenzenesulfonic acid; (phenylmethyl) 4-azanylcyclohexane-1-carboxylate

Systemtic Name: 4-methylbenzenesulfonic acid; (phenylmethyl) 4-azanylcyclohexane-1-carboxylate Openeye Name: benzyl 4-aminocyclohexanecarboxylate; 4-methylbenzenesulfonic acid CAS Name: 4-amino-1-cyclohexanecarboxylic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: benzyl 4-aminocyclohexane-1-carboxylate; 4-methylbenzenesulfonic acid Traditional Name: 4-aminocyclohexanecarboxylic acid benzyl ester; tosylic acid Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC(CCC1C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC(CCC1C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C14H19NO2.C7H8O3S/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,12-13H,6-10,15H2;2-5H,1H3,(H,8,9,10)