4-methylbenzenesulfonic acid; (phenylmethyl) 2-azanylpentanoate

Systemtic Name: 4-methylbenzenesulfonic acid; (phenylmethyl) 2-azanylpentanoate Openeye Name: benzyl 2-aminopentanoate; 4-methylbenzenesulfonic acid CAS Name: 2-aminopentanoic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: benzyl 2-aminopentanoate; 4-methylbenzenesulfonic acid Traditional Name: 2-aminovaleric acid benzyl ester; tosylic acid Formula: C19H25NO5S MolecularWeight: 379.4705

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC1=CC=CC=C1)N.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCC(C(=O)OCC1=CC=CC=C1)N.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C12H17NO2.C7H8O3S/c1-2-6-11(13)12(14)15-9-10-7-4-3-5-8-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-5,7-8,11H,2,6,9,13H2,1H3;2-5H,1H3,(H,8,9,10)