3-[(2-cyanophenyl)methylsulfonylamino]propanoic acid

Systemtic Name: 3-[(2-cyanophenyl)methylsulfonylamino]propanoic acid Openeye Name: 3-[(2-cyanophenyl)methylsulfonylamino]propanoic acid CAS Name: 3-[(2-cyanophenyl)methylsulfonylamino]propanoic acid IUPAC Name: 3-[(2-cyanophenyl)methylsulfonylamino]propanoic acid Traditional Name: 3-[(2-cyanobenzyl)sulfonylamino]propionic acid Formula: C11H12N2O4S MolecularWeight: 268.28898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CS(=O)(=O)NCCC(=O)O)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CS(=O)(=O)NCCC(=O)O)C#N

InChI

InChI=1S/C11H12N2O4S/c12-7-9-3-1-2-4-10(9)8-18(16,17)13-6-5-11(14)15/h1-4,13H,5-6,8H2,(H,14,15)