2-(cyanomethylsulfanyl)-N-[2-(4-fluoranylphenoxy)-5-morpholin-4-ylsulfonyl-phenyl]ethanamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-[2-(4-fluoranylphenoxy)-5-morpholin-4-ylsulfonyl-phenyl]ethanamide Openeye Name: 2-(cyanomethylsulfanyl)-N-[2-(4-fluorophenoxy)-5-morpholinosulfonyl-phenyl]acetamide CAS Name: 2-(cyanomethylthio)-N-[2-(4-fluorophenoxy)-5-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-[2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonylphenyl]acetamide Traditional Name: 2-(cyanomethylthio)-N-[2-(4-fluorophenoxy)-5-morpholinosulfonyl-phenyl]acetamide Formula: C20H20FN3O5S2 MolecularWeight: 465.518303

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)F)NC(=O)CSCC#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)F)NC(=O)CSCC#N

InChI

InChI=1S/C20H20FN3O5S2/c21-15-1-3-16(4-2-15)29-19-6-5-17(31(26,27)24-8-10-28-11-9-24)13-18(19)23-20(25)14-30-12-7-22/h1-6,13H,8-12,14H2,(H,23,25)