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

Systemtic Name: 4-methylbenzenesulfonic acid; (phenylmethyl) 1-azanylcyclohexane-1-carboxylate Openeye Name: benzyl 1-aminocyclohexanecarboxylate; 4-methylbenzenesulfonic acid CAS Name: 1-amino-1-cyclohexanecarboxylic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: benzyl 1-aminocyclohexane-1-carboxylate; 4-methylbenzenesulfonic acid Traditional Name: 1-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.C1CCC(CC1)(C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

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

InChI

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