4-methylbenzenesulfonic acid; (phenylmethyl) 2-(methylamino)ethanoate

Systemtic Name: 4-methylbenzenesulfonic acid; (phenylmethyl) 2-(methylamino)ethanoate Openeye Name: benzyl 2-(methylamino)acetate; 4-methylbenzenesulfonic acid CAS Name: 2-(methylamino)acetic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: benzyl 2-(methylamino)acetate; 4-methylbenzenesulfonic acid Traditional Name: 2-(methylamino)acetic acid benzyl ester; tosylic acid Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CNCC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CNCC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C10H13NO2.C7H8O3S/c1-11-7-10(12)13-8-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,11H,7-8H2,1H3;2-5H,1H3,(H,8,9,10)