4-methylbenzenesulfonic acid; (phenylmethyl) 2-phenylazanylethanoate

Systemtic Name: 4-methylbenzenesulfonic acid; (phenylmethyl) 2-phenylazanylethanoate Openeye Name: benzyl 2-anilinoacetate; 4-methylbenzenesulfonic acid CAS Name: 2-anilinoacetic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: benzyl 2-anilinoacetate; 4-methylbenzenesulfonic acid Traditional Name: 2-anilinoacetic acid benzyl ester; tosylic acid Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)CNC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)CNC2=CC=CC=C2

InChI

InChI=1S/C15H15NO2.C7H8O3S/c17-15(11-16-14-9-5-2-6-10-14)18-12-13-7-3-1-4-8-13;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,16H,11-12H2;2-5H,1H3,(H,8,9,10)