N1'-(cyanomethyl)-5-ethyl-6-fluoranyl-6-methylsulfonyl-cyclohexa-2,4-diene-1,1-dicarboxamide

Systemtic Name: N1'-(cyanomethyl)-5-ethyl-6-fluoranyl-6-methylsulfonyl-cyclohexa-2,4-diene-1,1-dicarboxamide Openeye Name: N1'-(cyanomethyl)-5-ethyl-6-fluoro-6-methylsulfonyl-cyclohexa-2,4-diene-1,1-dicarboxamide CAS Name: N1'-(cyanomethyl)-5-ethyl-6-fluoro-6-methylsulfonylcyclohexa-2,4-diene-1,1-dicarboxamide IUPAC Name: 1-N'-(cyanomethyl)-5-ethyl-6-fluoro-6-methylsulfonylcyclohexa-2,4-diene-1,1-dicarboxamide Traditional Name: N'-(cyanomethyl)-5-ethyl-6-fluoro-6-mesyl-cyclohexa-2,4-diene-1,1-dicarboxamide Formula: C13H16FN3O4S MolecularWeight: 329.347243

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(C1(F)S(=O)(=O)C)(C(=O)N)C(=O)NCC#N

Isomeric SMILES

CCC1=CC=CC(C1(F)S(=O)(=O)C)(C(=O)N)C(=O)NCC#N

InChI

InChI=1S/C13H16FN3O4S/c1-3-9-5-4-6-12(10(16)18,11(19)17-8-7-15)13(9,14)22(2,20)21/h4-6H,3,8H2,1-2H3,(H2,16,18)(H,17,19)