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

Systemtic Name: 2-[[4-(cyanomethylsulfonyl)phenyl]-methyl-amino]ethanoic acid Openeye Name: 2-[4-(cyanomethylsulfonyl)-N-methyl-anilino]acetic acid CAS Name: 2-[4-(cyanomethylsulfonyl)-N-methylanilino]acetic acid IUPAC Name: 2-[4-(cyanomethylsulfonyl)-N-methylanilino]acetic acid Traditional Name: 2-[4-(cyanomethylsulfonyl)-N-methyl-anilino]acetic acid Formula: C11H12N2O4S MolecularWeight: 268.28898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O4S/c1-13(8-11(14)15)9-2-4-10(5-3-9)18(16,17)7-6-12/h2-5H,7-8H2,1H3,(H,14,15)