2-[[2,4-bis(trifluoromethyl)phenyl]methylsulfonyl-(cyanomethyl)amino]ethanamide

Systemtic Name: 2-[[2,4-bis(trifluoromethyl)phenyl]methylsulfonyl-(cyanomethyl)amino]ethanamide Openeye Name: 2-[[2,4-bis(trifluoromethyl)phenyl]methylsulfonyl-(cyanomethyl)amino]acetamide CAS Name: 2-[[2,4-bis(trifluoromethyl)phenyl]methylsulfonyl-(cyanomethyl)amino]acetamide IUPAC Name: 2-[[2,4-bis(trifluoromethyl)phenyl]methylsulfonyl-(cyanomethyl)amino]acetamide Traditional Name: 2-[[2,4-bis(trifluoromethyl)benzyl]sulfonyl-(cyanomethyl)amino]acetamide Formula: C13H11F6N3O3S MolecularWeight: 403.300159

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)CS(=O)(=O)N(CC#N)CC(=O)N

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)CS(=O)(=O)N(CC#N)CC(=O)N

InChI

InChI=1S/C13H11F6N3O3S/c14-12(15,16)9-2-1-8(10(5-9)13(17,18)19)7-26(24,25)22(4-3-20)6-11(21)23/h1-2,5H,4,6-7H2,(H2,21,23)