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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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