2-[[4-(cyanomethylsulfonyl)phenyl]-ethyl-amino]ethanoic acid

Systemtic Name: 2-[[4-(cyanomethylsulfonyl)phenyl]-ethyl-amino]ethanoic acid Openeye Name: 2-[4-(cyanomethylsulfonyl)-N-ethyl-anilino]acetic acid CAS Name: 2-[4-(cyanomethylsulfonyl)-N-ethylanilino]acetic acid IUPAC Name: 2-[4-(cyanomethylsulfonyl)-N-ethylanilino]acetic acid Traditional Name: 2-[4-(cyanomethylsulfonyl)-N-ethyl-anilino]acetic acid Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)O)C1=CC=C(C=C1)S(=O)(=O)CC#N

Isomeric SMILES

CCN(CC(=O)O)C1=CC=C(C=C1)S(=O)(=O)CC#N

InChI

InChI=1S/C12H14N2O4S/c1-2-14(9-12(15)16)10-3-5-11(6-4-10)19(17,18)8-7-13/h3-6H,2,8-9H2,1H3,(H,15,16)