2-[2-[(3-cyanophenyl)methylsulfonylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[(3-cyanophenyl)methylsulfonylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[(3-cyanophenyl)methylsulfonylamino]acetyl]amino]acetic acid CAS Name: 2-[[2-[(3-cyanophenyl)methylsulfonylamino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[(3-cyanophenyl)methylsulfonylamino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[(3-cyanobenzyl)sulfonylamino]acetyl]amino]acetic acid Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O5S/c13-5-9-2-1-3-10(4-9)8-21(19,20)15-6-11(16)14-7-12(17)18/h1-4,15H,6-8H2,(H,14,16)(H,17,18)