2-methylbenzenesulfonic acid; (phenylmethyl) 3-azanylbutanoate

Systemtic Name: 2-methylbenzenesulfonic acid; (phenylmethyl) 3-azanylbutanoate Openeye Name: benzyl 3-aminobutanoate; 2-methylbenzenesulfonic acid CAS Name: 3-aminobutanoic acid (phenylmethyl) ester; 2-methylbenzenesulfonic acid IUPAC Name: benzyl 3-aminobutanoate; 2-methylbenzenesulfonic acid Traditional Name: 3-aminobutyric acid benzyl ester; 2-methylbesylic acid Formula: C18H23NO5S MolecularWeight: 365.44392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)O.CC(CC(=O)OCC1=CC=CC=C1)N

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)O.CC(CC(=O)OCC1=CC=CC=C1)N

InChI

InChI=1S/C11H15NO2.C7H8O3S/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10;1-6-4-2-3-5-7(6)11(8,9)10/h2-6,9H,7-8,12H2,1H3;2-5H,1H3,(H,8,9,10)