phenylmethanesulfonic acid; (phenylmethyl) 2-azanylpropanoate

Systemtic Name: phenylmethanesulfonic acid; (phenylmethyl) 2-azanylpropanoate Openeye Name: benzyl 2-aminopropanoate; phenylmethanesulfonic acid CAS Name: 2-aminopropanoic acid (phenylmethyl) ester; phenylmethanesulfonic acid IUPAC Name: benzyl 2-aminopropanoate; phenylmethanesulfonic acid Traditional Name: 2-aminopropionic acid benzyl ester; phenylmethanesulfonic acid Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)N.C1=CC=C(C=C1)CS(=O)(=O)O

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)N.C1=CC=C(C=C1)CS(=O)(=O)O

InChI

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